6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone

C14H22O — CID 114976402

IUPAC6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H22O/c1-9-4-2-5-10(8-9)14(15)13-11-6-3-7-12(11)13/h9-13H,2-8H2,1H3
InChIKeyXAFJGOAEBWLPKZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone

6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone (PubChem CID 114976402) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone
PubChem CID114976402
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone
SMILESCC1CCCC(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H22O/c1-9-4-2-5-10(8-9)14(15)13-11-6-3-7-12(11)13/h9-13H,2-8H2,1H3
InChIKeyXAFJGOAEBWLPKZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
1,4-dioxan-2-yl-(3-methylcyclohexyl)methanone
CID 65351381
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methylcyclohexyl)methanone
CID 114976389
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
(2,2-dimethylcyclopentyl)-(3-methylcyclohexyl)methanone
CID 107187080
(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone
CID 164649085
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
3-methyl-1-[(1S,3R)-3-methylcyclohexyl]but-2-en-1-one
CID 89432660
2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-one
CID 114976325

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone (CID 114976402) is 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone is CC1CCCC(C(=O)C2C3CCCC32)C1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone?
The InChIKey is XAFJGOAEBWLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-4-2-5-10(8-9)14(15)13-11-6-3-7-12(11)13/h9-13H,2-8H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone?
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone has a molecular weight of 206.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 114976402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).