4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol

C11H12O — CID 130145523

IUPAC4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol
SMILESC=CC12C3C4C3C3C(O)C4C1C32
InChIInChI=1S/C11H12O/c1-2-11-7-3-4(7)6-9(11)8(11)5(3)10(6)12/h2-10,12H,1H2
InChIKeyZXKGQVAUYRHIEH-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.90
Rot. Bonds1

About 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol

4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol (PubChem CID 130145523) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol.

Molecular Properties

Compound Name4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol
PubChem CID130145523
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol
SMILESC=CC12C3C4C3C3C(O)C4C1C32
InChIInChI=1S/C11H12O/c1-2-11-7-3-4(7)6-9(11)8(11)5(3)10(6)12/h2-10,12H,1H2
InChIKeyZXKGQVAUYRHIEH-UHFFFAOYSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.90
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 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol?
The IUPAC name of 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol (CID 130145523) is 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol.
What is the SMILES notation for 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol?
The canonical SMILES for 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol is C=CC12C3C4C3C3C(O)C4C1C32.
What is the InChIKey of 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol?
The InChIKey is ZXKGQVAUYRHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-11-7-3-4(7)6-9(11)8(11)5(3)10(6)12/h2-10,12H,1H2.
What are the key properties of 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol?
4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol has a molecular weight of 160.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonan-9-ol is sourced from PubChem (CID 130145523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).