(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol

C15H24O — CID 91228536

IUPAC(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
SMILESC=C(C)[C@@]12CC=C(C)[C@@H](C1)[C@@](C)(O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-10(2)15-7-6-11(3)13(9-15)14(5,16)8-12(15)4/h6,12-13,16H,1,7-9H2,2-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyXOYXUSREYADYSD-APIJFGDWSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol

(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol (PubChem CID 91228536) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol.

Molecular Properties

Compound Name(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
PubChem CID91228536
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
SMILESC=C(C)[C@@]12CC=C(C)[C@@H](C1)[C@@](C)(O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-10(2)15-7-6-11(3)13(9-15)14(5,16)8-12(15)4/h6,12-13,16H,1,7-9H2,2-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyXOYXUSREYADYSD-APIJFGDWSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol 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 (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The IUPAC name of (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol (CID 91228536) is (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol.
What is the SMILES notation for (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The canonical SMILES for (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol is C=C(C)[C@@]12CC=C(C)[C@@H](C1)[C@@](C)(O)C[C@H]2C.
What is the InChIKey of (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The InChIKey is XOYXUSREYADYSD-APIJFGDWSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)15-7-6-11(3)13(9-15)14(5,16)8-12(15)4/h6,12-13,16H,1,7-9H2,2-5H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol is sourced from PubChem (CID 91228536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).