2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol

C16H26O — CID 6437289

IUPAC2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
SMILESC/C1=C/C/C=C(/CCO)C2CC(C)(C)C2CC1
InChIInChI=1S/C16H26O/c1-12-5-4-6-13(9-10-17)14-11-16(2,3)15(14)8-7-12/h5-6,14-15,17H,4,7-11H2,1-3H3/b12-5-,13-6-
InChIKeyNCTFJDPCYOHLOD-VFWKFLPVSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds2

About 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol

2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol (PubChem CID 6437289) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol.

Molecular Properties

Compound Name2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
PubChem CID6437289
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
SMILESC/C1=C/C/C=C(/CCO)C2CC(C)(C)C2CC1
InChIInChI=1S/C16H26O/c1-12-5-4-6-13(9-10-17)14-11-16(2,3)15(14)8-7-12/h5-6,14-15,17H,4,7-11H2,1-3H3/b12-5-,13-6-
InChIKeyNCTFJDPCYOHLOD-VFWKFLPVSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol?
The IUPAC name of 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol (CID 6437289) is 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol.
What is the SMILES notation for 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol?
The canonical SMILES for 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol is C/C1=C/C/C=C(/CCO)C2CC(C)(C)C2CC1.
What is the InChIKey of 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol?
The InChIKey is NCTFJDPCYOHLOD-VFWKFLPVSA-N. The full InChI is InChI=1S/C16H26O/c1-12-5-4-6-13(9-10-17)14-11-16(2,3)15(14)8-7-12/h5-6,14-15,17H,4,7-11H2,1-3H3/b12-5-,13-6-.
What are the key properties of 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol?
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol is sourced from PubChem (CID 6437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).