2-ethylbicyclo[2.2.1]hept-5-en-2-ol

C9H14O — CID 13107573

IUPAC2-ethylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCC1(O)CC2C=CC1C2
InChIInChI=1S/C9H14O/c1-2-9(10)6-7-3-4-8(9)5-7/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyIHEGKRQSANCPRR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds1

About 2-ethylbicyclo[2.2.1]hept-5-en-2-ol

2-ethylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 13107573) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-ethylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID13107573
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCC1(O)CC2C=CC1C2
InChIInChI=1S/C9H14O/c1-2-9(10)6-7-3-4-8(9)5-7/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyIHEGKRQSANCPRR-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
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 2-ethylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-ethylbicyclo[2.2.1]hept-5-en-2-ol (CID 13107573) is 2-ethylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-ethylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-ethylbicyclo[2.2.1]hept-5-en-2-ol is CCC1(O)CC2C=CC1C2.
What is the InChIKey of 2-ethylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is IHEGKRQSANCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-9(10)6-7-3-4-8(9)5-7/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of 2-ethylbicyclo[2.2.1]hept-5-en-2-ol?
2-ethylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 13107573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).