2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol

C15H26O — CID 11074989

IUPAC2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol
SMILESC[C@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H26O/c1-10-6-7-11-12(10)8-14(2,3)9-13(11)15(4,5)16/h10,12,16H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyAXUFTLZFRGHJAV-CMPLNLGQSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol

2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol (PubChem CID 11074989) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol
PubChem CID11074989
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol
SMILESC[C@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@@H]21
InChIInChI=1S/C15H26O/c1-10-6-7-11-12(10)8-14(2,3)9-13(11)15(4,5)16/h10,12,16H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyAXUFTLZFRGHJAV-CMPLNLGQSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-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 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol?
The IUPAC name of 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol (CID 11074989) is 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol?
The canonical SMILES for 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol is C[C@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@@H]21.
What is the InChIKey of 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol?
The InChIKey is AXUFTLZFRGHJAV-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H26O/c1-10-6-7-11-12(10)8-14(2,3)9-13(11)15(4,5)16/h10,12,16H,6-9H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol?
2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol is sourced from PubChem (CID 11074989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).