1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol

C14H24O — CID 59039372

IUPAC1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H24O/c1-3-10(4-2)9-14(15)13-8-11-5-6-12(13)7-11/h5-6,10-15H,3-4,7-9H2,1-2H3/t11-,12+,13+,14?/m1/s1
InChIKeyXBHRPUBKDIBJON-PYXFJAETSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds5

About 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol

1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol (PubChem CID 59039372) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol
PubChem CID59039372
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H24O/c1-3-10(4-2)9-14(15)13-8-11-5-6-12(13)7-11/h5-6,10-15H,3-4,7-9H2,1-2H3/t11-,12+,13+,14?/m1/s1
InChIKeyXBHRPUBKDIBJON-PYXFJAETSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol?
The IUPAC name of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol (CID 59039372) is 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol.
What is the SMILES notation for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol?
The canonical SMILES for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol is CCC(CC)CC(O)[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol?
The InChIKey is XBHRPUBKDIBJON-PYXFJAETSA-N. The full InChI is InChI=1S/C14H24O/c1-3-10(4-2)9-14(15)13-8-11-5-6-12(13)7-11/h5-6,10-15H,3-4,7-9H2,1-2H3/t11-,12+,13+,14?/m1/s1.
What are the key properties of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol?
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol is sourced from PubChem (CID 59039372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).