4-propylbicyclo[2.2.1]hept-5-en-2-ol

C10H16O — CID 18552281

IUPAC4-propylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCCC12C=CC(C1)C(O)C2
InChIInChI=1S/C10H16O/c1-2-4-10-5-3-8(6-10)9(11)7-10/h3,5,8-9,11H,2,4,6-7H2,1H3
InChIKeyKSEUIMCJKBBLJV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds2

About 4-propylbicyclo[2.2.1]hept-5-en-2-ol

4-propylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 18552281) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-propylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name4-propylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID18552281
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-propylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCCCC12C=CC(C1)C(O)C2
InChIInChI=1S/C10H16O/c1-2-4-10-5-3-8(6-10)9(11)7-10/h3,5,8-9,11H,2,4,6-7H2,1H3
InChIKeyKSEUIMCJKBBLJV-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
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-propylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 4-propylbicyclo[2.2.1]hept-5-en-2-ol (CID 18552281) is 4-propylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 4-propylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 4-propylbicyclo[2.2.1]hept-5-en-2-ol is CCCC12C=CC(C1)C(O)C2.
What is the InChIKey of 4-propylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is KSEUIMCJKBBLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-4-10-5-3-8(6-10)9(11)7-10/h3,5,8-9,11H,2,4,6-7H2,1H3.
What are the key properties of 4-propylbicyclo[2.2.1]hept-5-en-2-ol?
4-propylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 18552281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).