3-methylbicyclo[13.1.0]hexadecan-5-one

C17H30O — CID 23149558

IUPAC3-methylbicyclo[13.1.0]hexadecan-5-one
SMILESCC1CC(=O)CCCCCCCCCC2CC2C1
InChIInChI=1S/C17H30O/c1-14-11-16-13-15(16)9-7-5-3-2-4-6-8-10-17(18)12-14/h14-16H,2-13H2,1H3
InChIKeyJRSHICPBEJSBKV-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.13
Rot. Bonds

About 3-methylbicyclo[13.1.0]hexadecan-5-one

3-methylbicyclo[13.1.0]hexadecan-5-one (PubChem CID 23149558) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-methylbicyclo[13.1.0]hexadecan-5-one.

Molecular Properties

Compound Name3-methylbicyclo[13.1.0]hexadecan-5-one
PubChem CID23149558
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name3-methylbicyclo[13.1.0]hexadecan-5-one
SMILESCC1CC(=O)CCCCCCCCCC2CC2C1
InChIInChI=1S/C17H30O/c1-14-11-16-13-15(16)9-7-5-3-2-4-6-8-10-17(18)12-14/h14-16H,2-13H2,1H3
InChIKeyJRSHICPBEJSBKV-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-dimethylcyclohexyl)cycloheptan-1-one
CID 64729151
3-methylcyclooctan-1-one
CID 12892221
3-methylcycloheptan-1-one
CID 534955
3-methylcyclopentadecane-1,5-dione
CID 11184330
3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one
CID 23149554
3-(113C)methylcyclohexan-1-one
CID 11708054
3,5,18-trimethylcyclononadecan-1-one
CID 71369920
6-methylcyclodecan-1-one
CID 121216307
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
3-(3-ethylcyclohexyl)cycloheptan-1-one
CID 64505271
(3R)-3-methylcyclopentadec-6-en-1-one
CID 71167606

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[13.1.0]hexadecan-5-one?
The IUPAC name of 3-methylbicyclo[13.1.0]hexadecan-5-one (CID 23149558) is 3-methylbicyclo[13.1.0]hexadecan-5-one.
What is the SMILES notation for 3-methylbicyclo[13.1.0]hexadecan-5-one?
The canonical SMILES for 3-methylbicyclo[13.1.0]hexadecan-5-one is CC1CC(=O)CCCCCCCCCC2CC2C1.
What is the InChIKey of 3-methylbicyclo[13.1.0]hexadecan-5-one?
The InChIKey is JRSHICPBEJSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-14-11-16-13-15(16)9-7-5-3-2-4-6-8-10-17(18)12-14/h14-16H,2-13H2,1H3.
What are the key properties of 3-methylbicyclo[13.1.0]hexadecan-5-one?
3-methylbicyclo[13.1.0]hexadecan-5-one has a molecular weight of 250.43 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[13.1.0]hexadecan-5-one is sourced from PubChem (CID 23149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).