5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one

C14H22O2 — CID 3860435

IUPAC5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
SMILESC=C1CCC2C(CC2(C)C)C(=O)CCC1O
InChIInChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3
InChIKeyBSFUDCIRZBAPDS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.71
Rot. Bonds

About 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one

5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one (PubChem CID 3860435) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one.

Molecular Properties

Compound Name5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
PubChem CID3860435
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
SMILESC=C1CCC2C(CC2(C)C)C(=O)CCC1O
InChIInChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3
InChIKeyBSFUDCIRZBAPDS-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.71
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 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one?
The IUPAC name of 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one (CID 3860435) is 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one.
What is the SMILES notation for 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one?
The canonical SMILES for 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one is C=C1CCC2C(CC2(C)C)C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one?
The InChIKey is BSFUDCIRZBAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3.
What are the key properties of 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one?
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one is sourced from PubChem (CID 3860435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).