4-tricyclo[4.2.0.01,3]oct-7-enylmethanol

C9H12O — CID 54301959

IUPAC4-tricyclo[4.2.0.01,3]oct-7-enylmethanol
SMILESOCC1CC2C=CC23CC13
InChIInChI=1S/C9H12O/c10-5-6-3-7-1-2-9(7)4-8(6)9/h1-2,6-8,10H,3-5H2
InChIKeySEVUDEUEVCRBOP-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.19
Rot. Bonds1

About 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol

4-tricyclo[4.2.0.01,3]oct-7-enylmethanol (PubChem CID 54301959) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol.

Molecular Properties

Compound Name4-tricyclo[4.2.0.01,3]oct-7-enylmethanol
PubChem CID54301959
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-tricyclo[4.2.0.01,3]oct-7-enylmethanol
SMILESOCC1CC2C=CC23CC13
InChIInChI=1S/C9H12O/c10-5-6-3-7-1-2-9(7)4-8(6)9/h1-2,6-8,10H,3-5H2
InChIKeySEVUDEUEVCRBOP-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol?
The IUPAC name of 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol (CID 54301959) is 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol.
What is the SMILES notation for 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol?
The canonical SMILES for 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol is OCC1CC2C=CC23CC13.
What is the InChIKey of 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol?
The InChIKey is SEVUDEUEVCRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-5-6-3-7-1-2-9(7)4-8(6)9/h1-2,6-8,10H,3-5H2.
What are the key properties of 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol?
4-tricyclo[4.2.0.01,3]oct-7-enylmethanol has a molecular weight of 136.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tricyclo[4.2.0.01,3]oct-7-enylmethanol is sourced from PubChem (CID 54301959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).