6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one

C15H20O — CID 129091087

IUPAC6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one
SMILESC=C1CC(=O)C=C(C)C12C=C(C(C)C)CC2
InChIInChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h8-10H,3,5-7H2,1-2,4H3
InChIKeyKKVADEBQFBTUIW-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.82
Rot. Bonds1

About 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one

6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one (PubChem CID 129091087) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one.

Molecular Properties

Compound Name6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one
PubChem CID129091087
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one
SMILESC=C1CC(=O)C=C(C)C12C=C(C(C)C)CC2
InChIInChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h8-10H,3,5-7H2,1-2,4H3
InChIKeyKKVADEBQFBTUIW-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one?
The IUPAC name of 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one (CID 129091087) is 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one.
What is the SMILES notation for 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one?
The canonical SMILES for 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one is C=C1CC(=O)C=C(C)C12C=C(C(C)C)CC2.
What is the InChIKey of 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one?
The InChIKey is KKVADEBQFBTUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h8-10H,3,5-7H2,1-2,4H3.
What are the key properties of 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one?
6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one has a molecular weight of 216.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one is sourced from PubChem (CID 129091087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).