1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one

C13H20O — CID 12972302

IUPAC1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one
SMILESC=C1C(=O)CC(C)C12CCC(C)CC2
InChIInChI=1S/C13H20O/c1-9-4-6-13(7-5-9)10(2)8-12(14)11(13)3/h9-10H,3-8H2,1-2H3
InChIKeyUMYBRIYYSWNTEW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.35
Rot. Bonds

About 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one

1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one (PubChem CID 12972302) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one
PubChem CID12972302
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one
SMILESC=C1C(=O)CC(C)C12CCC(C)CC2
InChIInChI=1S/C13H20O/c1-9-4-6-13(7-5-9)10(2)8-12(14)11(13)3/h9-10H,3-8H2,1-2H3
InChIKeyUMYBRIYYSWNTEW-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one
CID 69027320
7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one
CID 18633624
8-methyl-4-methylidene-2-oxaspiro[4.5]decan-1-one
CID 102244727
7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413
4,4,5-trimethylcyclohexane-1,2-dione
CID 130029950
8-methyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 139991277
1-(1,4-dimethylcyclohexyl)pyrrole-2,5-dione
CID 163583484
3,9-dimethylspiro[5.5]undecane
CID 20825106
methane;4-methylcyclohexan-1-one;1,1,4-trimethylcyclohexane
CID 160725349
(1S,4R,5S,9R)-4-methyl-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595375
(1R,4R,5S,9S)-4-methyl-7-methylidenetricyclo[7.2.1.01,5]dodecan-12-one
CID 102595376
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one?
The IUPAC name of 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one (CID 12972302) is 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one.
What is the SMILES notation for 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one?
The canonical SMILES for 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one is C=C1C(=O)CC(C)C12CCC(C)CC2.
What is the InChIKey of 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one?
The InChIKey is UMYBRIYYSWNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-4-6-13(7-5-9)10(2)8-12(14)11(13)3/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one?
1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one has a molecular weight of 192.30 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one is sourced from PubChem (CID 12972302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).