3,4,4-Trimethylcyclohexan-1-one

CAT: 0127-OR1071390-02Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1071390-02Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

40441-35-8

MDL Number

MFCD24688500

Purity

95%

Smiles

O=C1CC(C)C(C)(C)CC1

Chemical Information

3,4,4-Trimethylcyclohexan-1-one

CAS Number	40441-35-8
PubChem CID	13024934
IUPAC Name	3,4,4-trimethylcyclohexan-1-one
Molecular Formula	C9H16O
Molecular Weight	140.22
XLogP	2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	147

SMILES

CC1CC(=O)CCC1(C)C

InChI

InChI=1S/C9H16O/c1-7-6-8(10)4-5-9(7,2)3/h7H,4-6H2,1-3H3

InChIKey

FPNZOUJIEOSYEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40441-35-8

CID: 13024934

Formula: C9H16O

MW: 140.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.22
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	140.120115130
Monoisotopic Mass	140.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
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

Catalog	Name
OR1101398-01	3-[ (1E) -3-Hydroxy-3-Methylpenta-1,4-Dienyl]-2,4,4-Trimethylcyclohex-2-En-1-One
PC1002064	1,1,3,3,4,4,4-Heptafluorobutan-2-one
OR22513	3,4,4,4-tetrachloro-1-phenylbutan-1-one
PC1002065	1,1,1,3,4,4,4-Heptafluorobutan-2-one
PC1002063	1,1,1,3,3,4,4-Heptafluorobutan-2-one
OR25808	N1-[ (Diphenylphosphoryl) (fur-2-yl) methyl]-3,3,5-trimethylcyclohexan-1-amine
OR1068860-01	1- (4-Chlorophenyl) -4,4-dimethylpentan-3-one
OR22526	3,4,4,4-tetrachloro-1- (4-chlorophenyl) butan-1-one
OR22525	4,4,4-trichloro-1- (4-chlorophenyl) -3-hydroxybutan-1-one
PC1524-01	1-Bromo-3,3,4,4,4-pentafluorobutan-2-one

Catalog	Name
CAA23070-01	2,4,4-Trimethylcyclohexan-1-one
BHB15087-01	1,4,4-Trimethylcyclohexan-1-amine
VBA81591-01	N,4,4-Trimethylcyclohexan-1-amine
VAA54802-01	4-Hydroxy-2,2,6-trimethylcyclohexan-1-one
IBA49682-01	(5R) -3,3,5-Trimethylcyclohexan-1-one
SBA18547-01	2,3,6-Trimethylcyclohexan-1-one
EDA80279-01	1,3,3-Trimethylcyclohexan-1-ol
sc-333112	1- (aminomethyl) -N, N,3-trimethylcyclohexan-1-amine
GCA07722-01	3,3,4,4-Tetramethylcyclopentan-1-one
AVA69022-01	1,4,4-Trimethylpyrazolidin-3-one