1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol

C20H34O2 — CID 21361771

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol
SMILESCOCCCCC(O)(CCC1CC2C=CC1C2)C1CCCC1
InChIInChI=1S/C20H34O2/c1-22-13-5-4-11-20(21,19-6-2-3-7-19)12-10-18-15-16-8-9-17(18)14-16/h8-9,16-19,21H,2-7,10-15H2,1H3
InChIKeyHSLPLXBRHAYDSV-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.72
Rot. Bonds9

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol (PubChem CID 21361771) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol
PubChem CID21361771
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol
SMILESCOCCCCC(O)(CCC1CC2C=CC1C2)C1CCCC1
InChIInChI=1S/C20H34O2/c1-22-13-5-4-11-20(21,19-6-2-3-7-19)12-10-18-15-16-8-9-17(18)14-16/h8-9,16-19,21H,2-7,10-15H2,1H3
InChIKeyHSLPLXBRHAYDSV-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
CID 173198502
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70640373
8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
CID 18413318
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
CID 22228920
CID 22228920
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
[11-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichloroundecyl]silane
CID 173198534
2-cyclopentylpropan-2-yl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 172716812
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
CID 173198637
7-(2-bicyclo[2.2.1]hept-5-enyl)heptyl acetate
CID 59748148

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol (CID 21361771) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol is COCCCCC(O)(CCC1CC2C=CC1C2)C1CCCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol?
The InChIKey is HSLPLXBRHAYDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-22-13-5-4-11-20(21,19-6-2-3-7-19)12-10-18-15-16-8-9-17(18)14-16/h8-9,16-19,21H,2-7,10-15H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol has a molecular weight of 306.49 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol is sourced from PubChem (CID 21361771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).