(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol

C18H26O3 — CID 69398974

IUPAC(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC(O)=C(O)[C@]3(C)[C@H]1CC2
InChIInChI=1S/C18H26O3/c1-17-8-3-4-12(17)11-5-6-15-18(2,13(11)7-9-17)16(20)14(19)10-21-15/h6,11-13,19-20H,3-5,7-10H2,1-2H3/t11-,12-,13-,17-,18+/m0/s1
InChIKeyAVFXMOKPTGSWSR-HHDFAXHISA-N
MW290.40 g/mol
LogP4.47
Rot. Bonds

About (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol

(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol (PubChem CID 69398974) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol.

Molecular Properties

Compound Name(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol
PubChem CID69398974
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC(O)=C(O)[C@]3(C)[C@H]1CC2
InChIInChI=1S/C18H26O3/c1-17-8-3-4-12(17)11-5-6-15-18(2,13(11)7-9-17)16(20)14(19)10-21-15/h6,11-13,19-20H,3-5,7-10H2,1-2H3/t11-,12-,13-,17-,18+/m0/s1
InChIKeyAVFXMOKPTGSWSR-HHDFAXHISA-N
XLogP4.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol?
The IUPAC name of (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol (CID 69398974) is (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol.
What is the SMILES notation for (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol?
The canonical SMILES for (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol is C[C@@]12CCC[C@H]1[C@@H]1CC=C3OCC(O)=C(O)[C@]3(C)[C@H]1CC2.
What is the InChIKey of (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol?
The InChIKey is AVFXMOKPTGSWSR-HHDFAXHISA-N. The full InChI is InChI=1S/C18H26O3/c1-17-8-3-4-12(17)11-5-6-15-18(2,13(11)7-9-17)16(20)14(19)10-21-15/h6,11-13,19-20H,3-5,7-10H2,1-2H3/t11-,12-,13-,17-,18+/m0/s1.
What are the key properties of (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol?
(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol has a molecular weight of 290.40 g/mol, XLogP of 4.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9b,10,11-decahydroindeno[5,4-f]chromene-8,9-diol is sourced from PubChem (CID 69398974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).