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

C14H22O2 — CID 155012076

IUPAC5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(COC1CCCCC1)C2
InChIInChI=1S/C14H22O2/c15-14-10-6-7-13(14)11(8-10)9-16-12-4-2-1-3-5-12/h6-7,10-15H,1-5,8-9H2
InChIKeyWBKGHRGIAMNXQQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.52
Rot. Bonds3

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

5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 155012076) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID155012076
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(COC1CCCCC1)C2
InChIInChI=1S/C14H22O2/c15-14-10-6-7-13(14)11(8-10)9-16-12-4-2-1-3-5-12/h6-7,10-15H,1-5,8-9H2
InChIKeyWBKGHRGIAMNXQQ-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012146
2-(cyclopentyloxymethyl)cyclopentan-1-ol
CID 130145318
(1-methylcyclohexyl) 2-(7-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012088
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
CID 131089287
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
CID 82928660
5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 91468107
2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
CID 123846401
6-(cycloundecyloxymethyl)oxan-2-ol
CID 135181665
5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol
CID 155012044
ethoxycyclooctane
CID 13427982
cyclooctyloxymethylsilane
CID 157063356
8-cycloheptyloxyoctoxycycloheptane
CID 173292672

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 155012076) is 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol is OC1C2C=CC1C(COC1CCCCC1)C2.
What is the InChIKey of 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is WBKGHRGIAMNXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-14-10-6-7-13(14)11(8-10)9-16-12-4-2-1-3-5-12/h6-7,10-15H,1-5,8-9H2.
What are the key properties of 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol?
5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 222.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 155012076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).