1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

C13H22O — CID 89185365

IUPAC1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESC=CC1CC2CC1C(C(O)CC)C2C
InChIInChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3
InChIKeyFIMVRGMHCBEUCZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (PubChem CID 89185365) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
PubChem CID89185365
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESC=CC1CC2CC1C(C(O)CC)C2C
InChIInChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3
InChIKeyFIMVRGMHCBEUCZ-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol 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 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The IUPAC name of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (CID 89185365) is 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.
What is the SMILES notation for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The canonical SMILES for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is C=CC1CC2CC1C(C(O)CC)C2C.
What is the InChIKey of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The InChIKey is FIMVRGMHCBEUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3.
What are the key properties of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is sourced from PubChem (CID 89185365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).