10-methylspiro[4.5]decan-8-one

C11H18O — CID 11116421

IUPAC10-methylspiro[4.5]decan-8-one
SMILESCC1CC(=O)CCC12CCCC2
InChIInChI=1S/C11H18O/c1-9-8-10(12)4-7-11(9)5-2-3-6-11/h9H,2-8H2,1H3
InChIKeyAFDYRZYVMAMBGA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds

About 10-methylspiro[4.5]decan-8-one

10-methylspiro[4.5]decan-8-one (PubChem CID 11116421) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 10-methylspiro[4.5]decan-8-one.

Molecular Properties

Compound Name10-methylspiro[4.5]decan-8-one
PubChem CID11116421
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name10-methylspiro[4.5]decan-8-one
SMILESCC1CC(=O)CCC12CCCC2
InChIInChI=1S/C11H18O/c1-9-8-10(12)4-7-11(9)5-2-3-6-11/h9H,2-8H2,1H3
InChIKeyAFDYRZYVMAMBGA-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-methylsulfanylspiro[4.5]decan-8-one
CID 165498452
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(9R)-9-methylspiro[3.5]nonane
CID 140885739
3-methylspiro[3.5]nonane
CID 57473010
4-methyl-7-azaspiro[4.5]decan-8-one
CID 102737251
3-methylcyclopentadecane-1,5-dione
CID 11184330
cyclohexadecanone;6,6-dihydroxy-3,4-dimethylcyclohexadecan-1-one
CID 154998610
2,3',6,6-tetramethylspiro[bicyclo[3.1.1]heptane-3,4'-cyclohexane]-1'-one
CID 59304080
2-methylazepan-4-one;hydrochloride
CID 164872779
3-(113C)methylcyclohexan-1-one
CID 11708054
(1S,6R,9R)-10-methylidenetricyclo[7.2.1.01,6]dodecane-4,8-dione
CID 139249587
(1S)-2,2-dimethyl-5-oxocyclohexane-1-carbaldehyde
CID 45083822

Frequently Asked Questions

What is the IUPAC name of 10-methylspiro[4.5]decan-8-one?
The IUPAC name of 10-methylspiro[4.5]decan-8-one (CID 11116421) is 10-methylspiro[4.5]decan-8-one.
What is the SMILES notation for 10-methylspiro[4.5]decan-8-one?
The canonical SMILES for 10-methylspiro[4.5]decan-8-one is CC1CC(=O)CCC12CCCC2.
What is the InChIKey of 10-methylspiro[4.5]decan-8-one?
The InChIKey is AFDYRZYVMAMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-8-10(12)4-7-11(9)5-2-3-6-11/h9H,2-8H2,1H3.
What are the key properties of 10-methylspiro[4.5]decan-8-one?
10-methylspiro[4.5]decan-8-one has a molecular weight of 166.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylspiro[4.5]decan-8-one is sourced from PubChem (CID 11116421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).