Dihydro Tagetone

CAT: 0024-sc-391889Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-391889Size:100 g

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CAS Number

1879-00-1

Chemical Information

2,6-Dimethyloct-7-en-4-one

dihydro tagetone has been reported in Tagetes minuta with data available.

CAS Number	1879-00-1
PubChem CID	102706
IUPAC Name	2,6-dimethyloct-7-en-4-one
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

CC(C)CC(=O)CC(C)C=C

InChI

InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3

InChIKey

VUSBHGLIAQXBSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1879-00-1

CID: 102706

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes