3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol

C14H24O — CID 118072767

IUPAC3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C14H24O/c1-13(2,9-15)8-10-5-6-11-7-12(10)14(11,3)4/h5,11-12,15H,6-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyQVKNAKUTZLLQLW-RYUDHWBXSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds3

About 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol

3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol (PubChem CID 118072767) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
PubChem CID118072767
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C14H24O/c1-13(2,9-15)8-10-5-6-11-7-12(10)14(11,3)4/h5,11-12,15H,6-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyQVKNAKUTZLLQLW-RYUDHWBXSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-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 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol (CID 118072767) is 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol is CC(C)(CO)CC1=CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol?
The InChIKey is QVKNAKUTZLLQLW-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,9-15)8-10-5-6-11-7-12(10)14(11,3)4/h5,11-12,15H,6-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol?
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 118072767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).