2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol

C15H26O2 — CID 101168673

IUPAC2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol
SMILESCC1(C)CCC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2CCO
InChIInChI=1S/C15H26O2/c1-14(2)6-4-7-15(3)11(10-17)9-13(14)12(15)5-8-16/h9,12-13,16-17H,4-8,10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyRYUMBZJZMMNHTP-GUTXKFCHSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds3

About 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol

2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol (PubChem CID 101168673) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol.

Molecular Properties

Compound Name2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol
PubChem CID101168673
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol
SMILESCC1(C)CCC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2CCO
InChIInChI=1S/C15H26O2/c1-14(2)6-4-7-15(3)11(10-17)9-13(14)12(15)5-8-16/h9,12-13,16-17H,4-8,10H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyRYUMBZJZMMNHTP-GUTXKFCHSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol?
The IUPAC name of 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol (CID 101168673) is 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol.
What is the SMILES notation for 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol?
The canonical SMILES for 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol is CC1(C)CCC[C@@]2(C)C(CO)=C[C@@H]1[C@@H]2CCO.
What is the InChIKey of 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol?
The InChIKey is RYUMBZJZMMNHTP-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2)6-4-7-15(3)11(10-17)9-13(14)12(15)5-8-16/h9,12-13,16-17H,4-8,10H2,1-3H3/t12-,13+,15-/m0/s1.
What are the key properties of 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol?
2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6R,9S)-8-(hydroxymethyl)-1,5,5-trimethyl-9-bicyclo[4.2.1]non-7-enyl]ethanol is sourced from PubChem (CID 101168673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).