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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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).