(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene

C18H26O — CID 91221717

IUPAC(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC=C[C@]3(C)[C@@H]1CC2
InChIInChI=1S/C18H26O/c1-17-9-3-5-14(17)13-6-7-16-18(2,10-4-12-19-16)15(13)8-11-17/h4,7,10,13-15H,3,5-6,8-9,11-12H2,1-2H3/t13-,14-,15+,17-,18+/m0/s1
InChIKeyYVUJLVFTIAKRFV-ONMISFSYSA-N
MW258.41 g/mol
LogP4.70
Rot. Bonds

About (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene

(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene (PubChem CID 91221717) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene
PubChem CID91221717
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC=C[C@]3(C)[C@@H]1CC2
InChIInChI=1S/C18H26O/c1-17-9-3-5-14(17)13-6-7-16-18(2,10-4-12-19-16)15(13)8-11-17/h4,7,10,13-15H,3,5-6,8-9,11-12H2,1-2H3/t13-,14-,15+,17-,18+/m0/s1
InChIKeyYVUJLVFTIAKRFV-ONMISFSYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene (CID 91221717) is (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene is C[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC=C[C@]3(C)[C@@H]1CC2.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene?
The InChIKey is YVUJLVFTIAKRFV-ONMISFSYSA-N. The full InChI is InChI=1S/C18H26O/c1-17-9-3-5-14(17)13-6-7-16-18(2,10-4-12-19-16)15(13)8-11-17/h4,7,10,13-15H,3,5-6,8-9,11-12H2,1-2H3/t13-,14-,15+,17-,18+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene?
(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene has a molecular weight of 258.41 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene is sourced from PubChem (CID 91221717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).