4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene

C15H28O4 — CID 71334435

IUPAC4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene
SMILESCOC1(OC)CCC2(C)CCCC(OC)(OC)C2C1
InChIInChI=1S/C15H28O4/c1-13-7-6-8-15(18-4,19-5)12(13)11-14(16-2,17-3)10-9-13/h12H,6-11H2,1-5H3
InChIKeyDXYWXWRQVUUNQF-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.95
Rot. Bonds4

About 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene

4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene (PubChem CID 71334435) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene
PubChem CID71334435
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene
SMILESCOC1(OC)CCC2(C)CCCC(OC)(OC)C2C1
InChIInChI=1S/C15H28O4/c1-13-7-6-8-15(18-4,19-5)12(13)11-14(16-2,17-3)10-9-13/h12H,6-11H2,1-5H3
InChIKeyDXYWXWRQVUUNQF-UHFFFAOYSA-N
XLogP2.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene 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 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene?
The IUPAC name of 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene (CID 71334435) is 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene.
What is the SMILES notation for 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene?
The canonical SMILES for 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene is COC1(OC)CCC2(C)CCCC(OC)(OC)C2C1.
What is the InChIKey of 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene?
The InChIKey is DXYWXWRQVUUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-13-7-6-8-15(18-4,19-5)12(13)11-14(16-2,17-3)10-9-13/h12H,6-11H2,1-5H3.
What are the key properties of 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene?
4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene has a molecular weight of 272.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethoxy-8a-methyl-2,3,4a,5,7,8-hexahydro-1H-naphthalene is sourced from PubChem (CID 71334435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).