10-Methyldodec-2-en-4-olide

CAT: 0926-ZJB35915-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-ZJB35915-01Size:1 mg

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CAS Number

874359-15-6

Smiles

CCC (C) CCCCCC1C=CC (=O) O1

Molecular Formula

C13H22O2

Molecular Weight

210.31 g/mol

Controlled

Chemical Information

10-Methyldodec-2-en-4-olide

10-Methyldodec-2-en-4-olide is a butenolide.

CAS Number	874359-15-6
PubChem CID	21778198
IUPAC Name	2-(6-methyloctyl)-2H-furan-5-one
Molecular Formula	C13H22O2
Molecular Weight	210.31
XLogP	4.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

CCC(C)CCCCCC1C=CC(=O)O1

InChI

InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9-12H,3-8H2,1-2H3

InChIKey

OFMQUACVCCNBRR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874359-15-6

CID: 21778198

Formula: C13H22O2

MW: 210.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.31
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	210.161979940
Monoisotopic Mass	210.161979940
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GZB20853-01	4α,8β-Dihydroxyeudesm-7 (11) -en-12,8α-olide
KBA00119-01	4α,6α-Dihydroxyeudesm-11 (13) -en-12,8β-olide
WIA14894-01	1α,4β,10β-Trihydroxyguaia-2,11 (13) -dien-12,6α-olide
PMC26585-01	3,4-Seco-3-oxobisabol-10-ene-4,1-olide
KBA00123-01	10β-Hydroxycadina-4,11 (13) -dien-12,8β-olide
VMA59044-01	2-Cyclohexylpent-4-en-2-ol
GDA33605-01	2- (4-Bromophenyl) pent-4-en-2-ol
KCA57361-01	2- (4-Methoxyphenyl) pent-4-en-2-ol
NAA39571-01	2,4,4-Trimethylcyclohex-2-en-1-one
DIB93547-01	3-Oxo-24,25,26,27-tetranortirucall-7-en-23,21-olide

Catalog	Name
TN11126-01	10-Methyldodec-2-en-4-olide
MBS5761203	1-Oxo-4-hydroxy-2-en-4-ethylcyclohexa-5,8-olide
TBZ2005	1β,4α,6α-Trihydroxyeudesm-11-en-8α,12-olide
MBS5761554	4,8-Dihydroxyeudesm-7(11)-en-12,8-olide
GTR19182430	4\|A,6\|A-Dihydroxyeudesm-11 (13) -en-12,8\|A-olide
OR01856	2-Methyldodec-1-ene
HY-N9175	4α,6α-Dihydroxyeudesm-11 (13) -en-12,8β-olide
TN3017	4,8-Dihydroxyeudesm-7 (11) -en-12,8-olide
GTR19229013-01	6β-Ethoxy-8β,10β-dihydroxyeremophil-7 (11) -en-12,8α-olide
T125285-01	6��-Ethoxy-8β,10β-dihydroxyeremophil-7 (11) -en-12,8α-olide