1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one

C15H22O2 — CID 162902409

IUPAC1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one
SMILESC=C1CCC=CC(C)C(=O)C2(O)C1CC2(C)C
InChIInChI=1S/C15H22O2/c1-10-7-5-6-8-11(2)13(16)15(17)12(10)9-14(15,3)4/h6,8,11-12,17H,1,5,7,9H2,2-4H3
InChIKeyHHZXYLJYXOHNNF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds

About 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one

1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one (PubChem CID 162902409) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one.

Molecular Properties

Compound Name1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one
PubChem CID162902409
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one
SMILESC=C1CCC=CC(C)C(=O)C2(O)C1CC2(C)C
InChIInChI=1S/C15H22O2/c1-10-7-5-6-8-11(2)13(16)15(17)12(10)9-14(15,3)4/h6,8,11-12,17H,1,5,7,9H2,2-4H3
InChIKeyHHZXYLJYXOHNNF-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one?
The IUPAC name of 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one (CID 162902409) is 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one.
What is the SMILES notation for 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one?
The canonical SMILES for 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one is C=C1CCC=CC(C)C(=O)C2(O)C1CC2(C)C.
What is the InChIKey of 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one?
The InChIKey is HHZXYLJYXOHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-7-5-6-8-11(2)13(16)15(17)12(10)9-14(15,3)4/h6,8,11-12,17H,1,5,7,9H2,2-4H3.
What are the key properties of 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one?
1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-one is sourced from PubChem (CID 162902409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).