3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol

C14H18O — CID 15829496

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1C2C=CC(C2)C1C1CC2C=CC1C2
InChIInChI=1S/C14H18O/c15-14-11-4-3-10(7-11)13(14)12-6-8-1-2-9(12)5-8/h1-4,8-15H,5-7H2
InChIKeyHJDOVHYVNICLLR-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.38
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol

3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 15829496) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID15829496
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1C2C=CC(C2)C1C1CC2C=CC1C2
InChIInChI=1S/C14H18O/c15-14-11-4-3-10(7-11)13(14)12-6-8-1-2-9(12)5-8/h1-4,8-15H,5-7H2
InChIKeyHJDOVHYVNICLLR-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
tricyclo[4.2.1.03,8]non-4-ene
CID 15329735
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 11147824
4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 550026
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)tricyclo[6.2.1.02,7]undec-9-en-3-ol
CID 58621728
5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 20708566
5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 15829496) is 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol is OC1C2C=CC(C2)C1C1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is HJDOVHYVNICLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-11-4-3-10(7-11)13(14)12-6-8-1-2-9(12)5-8/h1-4,8-15H,5-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol?
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 202.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 15829496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).