(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one

C16H26O2 — CID 159087738

IUPAC(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1.CC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C9H16O.C7H10O/c1-3-9(2)6-4-5-8(10)7-9;1-6-3-2-4-7(8)5-6/h3-7H2,1-2H3;5H,2-4H2,1H3/t9-;/m1./s1
InChIKeyKBQSOCMTKQEOHB-SBSPUUFOSA-N
MW250.38 g/mol
LogP4.23
Rot. Bonds1

About (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one

(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one (PubChem CID 159087738) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one
PubChem CID159087738
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1.CC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C9H16O.C7H10O/c1-3-9(2)6-4-5-8(10)7-9;1-6-3-2-4-7(8)5-6/h3-7H2,1-2H3;5H,2-4H2,1H3/t9-;/m1./s1
InChIKeyKBQSOCMTKQEOHB-SBSPUUFOSA-N
XLogP4.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
CID 134865379
CID 134865379
lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one
CID 159063304
3-methylcyclopent-2-en-1-one
CID 162114643
4,4-dimethylspiro[5.5]undecane-2,10-dione
CID 10798425
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione
CID 10966868
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
methyl (1S)-1-ethyl-3-oxocyclohexane-1-carboxylate
CID 102477472
methyl 1-ethyl-3-oxocyclohexane-1-carboxylate
CID 19899040

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one?
The IUPAC name of (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one (CID 159087738) is (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one?
The canonical SMILES for (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one is CC1=CC(=O)CCC1.CC[C@]1(C)CCCC(=O)C1.
What is the InChIKey of (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one?
The InChIKey is KBQSOCMTKQEOHB-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H16O.C7H10O/c1-3-9(2)6-4-5-8(10)7-9;1-6-3-2-4-7(8)5-6/h3-7H2,1-2H3;5H,2-4H2,1H3/t9-;/m1./s1.
What are the key properties of (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one?
(3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one has a molecular weight of 250.38 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methylcyclohexan-1-one;3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 159087738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).