2- (Sec-Butyl) Cyclohexanone

CAT: 0127-OR1009853-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009853-01Size:25 g

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CAS Number

14765-30-1

MDL Number

MFCD00051454

Purity

98%

Smiles

CCC(C)C1CCCCC1=O

Chemical Information

2-sec-Butyl cyclohexanone

CAS Number	14765-30-1
PubChem CID	61771
IUPAC Name	2-butan-2-ylcyclohexan-1-one
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	2.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

CCC(C)C1CCCCC1=O

InChI

InChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3

InChIKey

RQXTZKGDMNIWJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14765-30-1

CID: 61771

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
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
HY-W010216S	4- (tert-Butyl) cyclohexanone-d9
sc-299335	4- (tert-Butyl) cyclohexanone oxime
AR-C08612-01	4-tert-Butyl-2- (1-methyl-2-nitroethyl) Cyclohexanone
TRC-B242170-100MG	4-t-Butyl-2-(1-methyl-2-nitroethyl)cyclohexanone (Mixture of Diastereomers)
TRC-B692440-1G	Butyl sec-Butyl Phthalate
465988-01	Sec-Butyl Acetate
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TRC-B692690-5G	sec-Butyl Mercaptan
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