3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol

C20H32O — CID 85434292

IUPAC3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol
SMILESC=CC(C)=CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12
InChIInChI=1S/C20H32O/c1-7-14(2)11-12-19(5)16(4)13-18(21)20(6)15(3)9-8-10-17(19)20/h7,9,11,16-18,21H,1,8,10,12-13H2,2-6H3
InChIKeyDFMJXLDPHLWJDW-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.28
Rot. Bonds3

About 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol

3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol (PubChem CID 85434292) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol
PubChem CID85434292
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol
SMILESC=CC(C)=CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12
InChIInChI=1S/C20H32O/c1-7-14(2)11-12-19(5)16(4)13-18(21)20(6)15(3)9-8-10-17(19)20/h7,9,11,16-18,21H,1,8,10,12-13H2,2-6H3
InChIKeyDFMJXLDPHLWJDW-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-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 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol?
The IUPAC name of 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol (CID 85434292) is 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol.
What is the SMILES notation for 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol?
The canonical SMILES for 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol is C=CC(C)=CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12.
What is the InChIKey of 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol?
The InChIKey is DFMJXLDPHLWJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-7-14(2)11-12-19(5)16(4)13-18(21)20(6)15(3)9-8-10-17(19)20/h7,9,11,16-18,21H,1,8,10,12-13H2,2-6H3.
What are the key properties of 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol?
3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,8a-tetramethyl-4-(3-methylpenta-2,4-dienyl)-1,2,3,4a,5,6-hexahydronaphthalen-1-ol is sourced from PubChem (CID 85434292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).