5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol

C13H20O2 — CID 155012146

IUPAC5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(COC1CCCC1)C2
InChIInChI=1S/C13H20O2/c14-13-9-5-6-12(13)10(7-9)8-15-11-3-1-2-4-11/h5-6,9-14H,1-4,7-8H2
InChIKeyNHLQMUPYBSXRFK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.13
Rot. Bonds3

About 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol

5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 155012146) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID155012146
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(COC1CCCC1)C2
InChIInChI=1S/C13H20O2/c14-13-9-5-6-12(13)10(7-9)8-15-11-3-1-2-4-11/h5-6,9-14H,1-4,7-8H2
InChIKeyNHLQMUPYBSXRFK-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-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-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012076
2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
CID 131089287
(1-methylcyclohexyl) 2-(7-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012088
2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
CID 123846401
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
CID 82928660
5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 91468107
[2-oxo-2-(oxolan-2-yloxy)ethyl] 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012001
6-(cycloundecyloxymethyl)oxan-2-ol
CID 135181665
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
CID 23555976
pentyl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012007
3-(cyclopropylmethoxy)cyclohexan-1-ol
CID 79618368

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 155012146) is 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol is OC1C2C=CC1C(COC1CCCC1)C2.
What is the InChIKey of 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is NHLQMUPYBSXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13-9-5-6-12(13)10(7-9)8-15-11-3-1-2-4-11/h5-6,9-14H,1-4,7-8H2.
What are the key properties of 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 208.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 155012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).