(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene

C14H24O — CID 3086472

IUPAC(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene
SMILESCO[C@]1(C)C[C@@H](C)[C@H]2C(C)=CC[C@@H]2[C@H]1C
InChIInChI=1S/C14H24O/c1-9-6-7-12-11(3)14(4,15-5)8-10(2)13(9)12/h6,10-13H,7-8H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyFUQRHLOGXXEQMO-DHGKCCLASA-N
MW208.34 g/mol
LogP3.65
Rot. Bonds1

About (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene

(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene (PubChem CID 3086472) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene.

Molecular Properties

Compound Name(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene
PubChem CID3086472
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene
SMILESCO[C@]1(C)C[C@@H](C)[C@H]2C(C)=CC[C@@H]2[C@H]1C
InChIInChI=1S/C14H24O/c1-9-6-7-12-11(3)14(4,15-5)8-10(2)13(9)12/h6,10-13H,7-8H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyFUQRHLOGXXEQMO-DHGKCCLASA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene 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 (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene?
The IUPAC name of (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene (CID 3086472) is (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene.
What is the SMILES notation for (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene?
The canonical SMILES for (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene is CO[C@]1(C)C[C@@H](C)[C@H]2C(C)=CC[C@@H]2[C@H]1C.
What is the InChIKey of (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene?
The InChIKey is FUQRHLOGXXEQMO-DHGKCCLASA-N. The full InChI is InChI=1S/C14H24O/c1-9-6-7-12-11(3)14(4,15-5)8-10(2)13(9)12/h6,10-13H,7-8H2,1-5H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene?
(3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene has a molecular weight of 208.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,7R,7aS)-6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene is sourced from PubChem (CID 3086472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).