1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol

C16H28O2 — CID 537364

IUPAC1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol
SMILESCC(C)OC1CCC(C)(C)C2=CCC(C)(O)C21C
InChIInChI=1S/C16H28O2/c1-11(2)18-13-8-9-14(3,4)12-7-10-15(5,17)16(12,13)6/h7,11,13,17H,8-10H2,1-6H3
InChIKeyDVDRALDUFGKDIR-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.69
Rot. Bonds2

About 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol

1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol (PubChem CID 537364) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol.

Molecular Properties

Compound Name1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol
PubChem CID537364
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol
SMILESCC(C)OC1CCC(C)(C)C2=CCC(C)(O)C21C
InChIInChI=1S/C16H28O2/c1-11(2)18-13-8-9-14(3,4)12-7-10-15(5,17)16(12,13)6/h7,11,13,17H,8-10H2,1-6H3
InChIKeyDVDRALDUFGKDIR-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-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 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol?
The IUPAC name of 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol (CID 537364) is 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol.
What is the SMILES notation for 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol?
The canonical SMILES for 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol is CC(C)OC1CCC(C)(C)C2=CCC(C)(O)C21C.
What is the InChIKey of 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol?
The InChIKey is DVDRALDUFGKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11(2)18-13-8-9-14(3,4)12-7-10-15(5,17)16(12,13)6/h7,11,13,17H,8-10H2,1-6H3.
What are the key properties of 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol?
1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,7a-tetramethyl-7-propan-2-yloxy-2,5,6,7-tetrahydroinden-1-ol is sourced from PubChem (CID 537364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).