1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene

C85H150 — CID 162299018

About 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene

1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene (PubChem CID 162299018) has the molecular formula C85H150 and a molecular weight of 1172.13 g/mol. Its IUPAC name is 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene.

Molecular Properties

• Compound Name: 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene
• PubChem CID: 162299018
• Molecular Formula: C85H150
• Molecular Weight: 1172.13 g/mol
• Exact Mass: 1171.17
• IUPAC Name: 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene
• SMILES: CC(C)CC(C)(C)C1CC(C)C(C)C1.CC(C)CC(C)(C)C1CCC(C)C1.CC1CC(C(C)(C)C)C(C)C1C.CC1CC(c2ccccc2)CC1C.CC1CC2CCCCC2C1C.CC1CCC(c2ccccc2)C1.CC1CCC2CCCCC12
• InChI: InChI=1S/C14H28.C13H18.C13H26.C12H16.C12H24.C11H20.C10H18/c1-10(2)9-14(5,6)13-7-11(3)12(4)8-13;1-10-8-13(9-11(10)2)12-6-4-3-5-7-12;1-10(2)9-13(4,5)12-7-6-11(3)8-12;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8-7-11(12(4,5)6)10(3)9(8)2;1-8-7-10-5-3-4-6-11(10)9(8)2;1-8-6-7-9-4-2-3-5-10(8)9/h10-13H,7-9H2,1-6H3;3-7,10-11,13H,8-9H2,1-2H3;10-12H,6-9H2,1-5H3;2-6,10,12H,7-9H2,1H3;8-11H,7H2,1-6H3;8-11H,3-7H2,1-2H3;8-10H,2-7H2,1H3
• InChIKey: QLVJNZRAMPOJHD-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.13
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene?

The IUPAC name of 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene (CID 162299018) is 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene.

What is the SMILES notation for 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene?

The canonical SMILES for 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene is CC(C)CC(C)(C)C1CC(C)C(C)C1.CC(C)CC(C)(C)C1CCC(C)C1.CC1CC(C(C)(C)C)C(C)C1C.CC1CC(c2ccccc2)CC1C.CC1CC2CCCCC2C1C.CC1CCC(c2ccccc2)C1.CC1CCC2CCCCC12.

What is the InChIKey of 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene?

The InChIKey is QLVJNZRAMPOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C13H18.C13H26.C12H16.C12H24.C11H20.C10H18/c1-10(2)9-14(5,6)13-7-11(3)12(4)8-13;1-10-8-13(9-11(10)2)12-6-4-3-5-7-12;1-10(2)9-13(4,5)12-7-6-11(3)8-12;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8-7-11(12(4,5)6)10(3)9(8)2;1-8-7-10-5-3-4-6-11(10)9(8)2;1-8-6-7-9-4-2-3-5-10(8)9/h10-13H,7-9H2,1-6H3;3-7,10-11,13H,8-9H2,1-2H3;10-12H,6-9H2,1-5H3;2-6,10,12H,7-9H2,1H3;8-11H,7H2,1-6H3;8-11H,3-7H2,1-2H3;8-10H,2-7H2,1H3.

What are the key properties of 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene?

1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene has a molecular weight of 1172.13 g/mol, XLogP of 27.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2,3,4-trimethylcyclopentane;1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3,4-dimethylcyclopentyl)benzene;4-(2,4-dimethylpentan-2-yl)-1,2-dimethylcyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(3-methylcyclopentyl)benzene is sourced from PubChem (CID 162299018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).