3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene

C20H36 — CID 123565546

IUPAC3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CCC(C2CC3CCC(C)C(C)C3C2(C)C)CC1
InChIInChI=1S/C20H36/c1-13-6-9-16(10-7-13)18-12-17-11-8-14(2)15(3)19(17)20(18,4)5/h13-19H,6-12H2,1-5H3
InChIKeyHTSHMBWOXGAEKW-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.16
Rot. Bonds1

About 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene

3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 123565546) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID123565546
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCC1CCC(C2CC3CCC(C)C(C)C3C2(C)C)CC1
InChIInChI=1S/C20H36/c1-13-6-9-16(10-7-13)18-12-17-11-8-14(2)15(3)19(17)20(18,4)5/h13-19H,6-12H2,1-5H3
InChIKeyHTSHMBWOXGAEKW-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene with MolForge

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Related Compounds

1,2,3,4,7-pentamethylcyclononane
CID 123773414
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
bis(1,4-dimethylcyclohexane);methane
CID 161326462
(3aR,7aS)-2,4,5-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91357459
2,2,4-trimethylbicyclo[5.2.0]nonane
CID 123508525
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-[3-(bromomethyl)-2,2-dimethylcyclopropyl]-4-methylcyclohexane
CID 130489296
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
1,2,4,7-tetramethylcyclononane
CID 123661715
3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
CID 87633849

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene (CID 123565546) is 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is CC1CCC(C2CC3CCC(C)C(C)C3C2(C)C)CC1.
What is the InChIKey of 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is HTSHMBWOXGAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-13-6-9-16(10-7-13)18-12-17-11-8-14(2)15(3)19(17)20(18,4)5/h13-19H,6-12H2,1-5H3.
What are the key properties of 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 276.51 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 123565546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).