3-pent-4-enylbicyclo[2.2.1]heptan-2-ol

C12H20O — CID 123558126

IUPAC3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CCCCC1C2CCC(C2)C1O
InChIInChI=1S/C12H20O/c1-2-3-4-5-11-9-6-7-10(8-9)12(11)13/h2,9-13H,1,3-8H2
InChIKeySHGPPNKYUMVQPJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.75
Rot. Bonds4

About 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol

3-pent-4-enylbicyclo[2.2.1]heptan-2-ol (PubChem CID 123558126) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
PubChem CID123558126
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-pent-4-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CCCCC1C2CCC(C2)C1O
InChIInChI=1S/C12H20O/c1-2-3-4-5-11-9-6-7-10(8-9)12(11)13/h2,9-13H,1,3-8H2
InChIKeySHGPPNKYUMVQPJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 125469630
2-pent-4-enylcyclohexan-1-ol
CID 59087603
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
3-[(pent-4-enylamino)methyl]cyclopentan-1-ol
CID 106129726
(1S,2R)-2-pent-4-enylbicyclo[3.1.0]hexan-3-one
CID 129014256
(2S,6R)-2,6-bis(pent-4-enyl)piperidine
CID 14680292
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
2,6-bis(pent-4-enyl)piperidine
CID 592267
1-(4-pent-4-enylcyclohexyl)silinan-4-ol
CID 123398056
4-tert-butyl-2-pent-4-enylcyclohexane-1-carboxylic acid
CID 81021329

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol (CID 123558126) is 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol is C=CCCCC1C2CCC(C2)C1O.
What is the InChIKey of 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is SHGPPNKYUMVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-11-9-6-7-10(8-9)12(11)13/h2,9-13H,1,3-8H2.
What are the key properties of 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol?
3-pent-4-enylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 123558126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).