2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol

C9H14O — CID 548681

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol
SMILESOCCC1CC2C=CC1C2
InChIInChI=1S/C9H14O/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-10H,3-6H2
InChIKeyCZYVCAJKUNEWLC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol

2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol (PubChem CID 548681) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol
PubChem CID548681
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol
SMILESOCCC1CC2C=CC1C2
InChIInChI=1S/C9H14O/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-10H,3-6H2
InChIKeyCZYVCAJKUNEWLC-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
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

Bicyclo(2.2.1)hept-5-ene-2-methanol
CID 78946
5-Norbornene-2,3-dimethanol
CID 97724
4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
CID 110917
2-Methyl-5-norbornene-2-methanol
CID 98088
5-Norbornene-2-exo,3-exo-dimethanol
CID 11862151
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
5-Norbornene-2-endo,3-endo-dimethanol
CID 10773190
(5R)-5-Hydroxymethylbicyclo[2.2.1]hept-2-ene
CID 12268643
4,7-Methano-1H-inden-1-ol, 3a,4,7,7a-tetrahydro-
CID 424033
Norborna-5-ene-2alpha,3alpha-dimethanol
CID 12253651
[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol
CID 135040720
[(2S,3aR)-3,3,3a,4,4-pentamethyl-1,2,5,6-tetrahydroinden-2-yl]methanol
CID 162959085

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol (CID 548681) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol is OCCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The InChIKey is CZYVCAJKUNEWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-10H,3-6H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanol is sourced from PubChem (CID 548681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).