4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

C15H26O2 — CID 85145095

IUPAC4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
SMILESC=C1CCC(O)C(C)(O)CCC2C1CC2(C)C
InChIInChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3
InChIKeyXZTGVWRBZDBQLP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds

About 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol (PubChem CID 85145095) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol.

Molecular Properties

Compound Name4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
PubChem CID85145095
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
SMILESC=C1CCC(O)C(C)(O)CCC2C1CC2(C)C
InChIInChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3
InChIKeyXZTGVWRBZDBQLP-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The IUPAC name of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol (CID 85145095) is 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol.
What is the SMILES notation for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The canonical SMILES for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol is C=C1CCC(O)C(C)(O)CCC2C1CC2(C)C.
What is the InChIKey of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
The InChIKey is XZTGVWRBZDBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3.
What are the key properties of 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol?
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol is sourced from PubChem (CID 85145095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).