(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran

C15H24O — CID 66716257

IUPAC(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran
SMILESCC1=C2[C@@H]3OCC(C)[C@@H]3CC[C@@]2(C)CCC1
InChIInChI=1S/C15H24O/c1-10-5-4-7-15(3)8-6-12-11(2)9-16-14(12)13(10)15/h11-12,14H,4-9H2,1-3H3/t11?,12-,14+,15+/m0/s1
InChIKeyYONGBQWUBOUMOZ-LPFJBUIZSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran

(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran (PubChem CID 66716257) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran.

Molecular Properties

Compound Name(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran
PubChem CID66716257
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran
SMILESCC1=C2[C@@H]3OCC(C)[C@@H]3CC[C@@]2(C)CCC1
InChIInChI=1S/C15H24O/c1-10-5-4-7-15(3)8-6-12-11(2)9-16-14(12)13(10)15/h11-12,14H,4-9H2,1-3H3/t11?,12-,14+,15+/m0/s1
InChIKeyYONGBQWUBOUMOZ-LPFJBUIZSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran?
The IUPAC name of (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran (CID 66716257) is (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran.
What is the SMILES notation for (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran?
The canonical SMILES for (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran is CC1=C2[C@@H]3OCC(C)[C@@H]3CC[C@@]2(C)CCC1.
What is the InChIKey of (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran?
The InChIKey is YONGBQWUBOUMOZ-LPFJBUIZSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-4-7-15(3)8-6-12-11(2)9-16-14(12)13(10)15/h11-12,14H,4-9H2,1-3H3/t11?,12-,14+,15+/m0/s1.
What are the key properties of (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran?
(3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aR,9bR)-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydro-2H-benzo[g][1]benzofuran is sourced from PubChem (CID 66716257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).