(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

C30H42O2 — CID 71170338

IUPAC(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=CC3=C2C2OCC(C)CC2CC3)C1
InChIInChI=1S/C30H42O2/c1-17-9-21-5-7-23-11-19(3)15-31-29(23)27(21)25(13-17)26-14-18(2)10-22-6-8-24-12-20(4)16-32-30(24)28(22)26/h9-10,19-20,23-26,29-30H,5-8,11-16H2,1-4H3/t19?,20?,23?,24?,25-,26?,29?,30?/m1/s1
InChIKeyRGOVWWTUKCUGEA-FYKNTHIOSA-N
MW434.66 g/mol
LogP7.18
Rot. Bonds1

About (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (PubChem CID 71170338) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.

Molecular Properties

Compound Name(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
PubChem CID71170338
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=CC3=C2C2OCC(C)CC2CC3)C1
InChIInChI=1S/C30H42O2/c1-17-9-21-5-7-23-11-19(3)15-31-29(23)27(21)25(13-17)26-14-18(2)10-22-6-8-24-12-20(4)16-32-30(24)28(22)26/h9-10,19-20,23-26,29-30H,5-8,11-16H2,1-4H3/t19?,20?,23?,24?,25-,26?,29?,30?/m1/s1
InChIKeyRGOVWWTUKCUGEA-FYKNTHIOSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The IUPAC name of (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (CID 71170338) is (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.
What is the SMILES notation for (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The canonical SMILES for (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is CC1=CC2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=CC3=C2C2OCC(C)CC2CC3)C1.
What is the InChIKey of (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The InChIKey is RGOVWWTUKCUGEA-FYKNTHIOSA-N. The full InChI is InChI=1S/C30H42O2/c1-17-9-21-5-7-23-11-19(3)15-31-29(23)27(21)25(13-17)26-14-18(2)10-22-6-8-24-12-20(4)16-32-30(24)28(22)26/h9-10,19-20,23-26,29-30H,5-8,11-16H2,1-4H3/t19?,20?,23?,24?,25-,26?,29?,30?/m1/s1.
What are the key properties of (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
(10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene has a molecular weight of 434.66 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl)-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is sourced from PubChem (CID 71170338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).