1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

C90H198 — CID 165032332

About 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (PubChem CID 165032332) has the molecular formula C90H198 and a molecular weight of 1280.57 g/mol. Its IUPAC name is 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.

Molecular Properties

• Compound Name: 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
• PubChem CID: 165032332
• Molecular Formula: C90H198
• Molecular Weight: 1280.57 g/mol
• Exact Mass: 1279.55
• IUPAC Name: 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
• SMILES: CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)C(C)C.CC1(C)CCCC1.CC1CCCCC1.CCC(C)(C)C(C)C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(CC)CC.CCC1CCCC1.CC[C@H](C)C(C)C
• InChI: InChI=1S/C10H22.3C8H18.3C7H14.5C7H16/c1-8(9(2,3)4)10(5,6)7;1-7(2,3)8(4,5)6;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4;1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;1-6(2)7(3,4)5;2*1-5-7(3,4)6-2;1-5-7(4)6(2)3;1-4-7(5-2)6-3/h8H,1-7H3;1-6H3;7H,6H2,1-5H3;6-8H,1-5H3;3-6H2,1-2H3;2*7H,2-6H2,1H3;6H,1-5H3;2*5-6H2,1-4H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3/t;;;;;;;;;;7-;/m..........0./s1
• InChIKey: MVVXBSMQJBIFNK-IIIMBFPASA-N
• XLogP: 34.44
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1280.57
LogP ≤ 5	34.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The IUPAC name of 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (CID 165032332) is 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.

What is the SMILES notation for 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The canonical SMILES for 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)C(C)(C)C.CC(C)C(C)C(C)C.CC1(C)CCCC1.CC1CCCCC1.CCC(C)(C)C(C)C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(CC)CC.CCC1CCCC1.CC[C@H](C)C(C)C.

What is the InChIKey of 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

The InChIKey is MVVXBSMQJBIFNK-IIIMBFPASA-N. The full InChI is InChI=1S/C10H22.3C8H18.3C7H14.5C7H16/c1-8(9(2,3)4)10(5,6)7;1-7(2,3)8(4,5)6;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4;1-7(2)5-3-4-6-7;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;1-6(2)7(3,4)5;2*1-5-7(3,4)6-2;1-5-7(4)6(2)3;1-4-7(5-2)6-3/h8H,1-7H3;1-6H3;7H,6H2,1-5H3;6-8H,1-5H3;3-6H2,1-2H3;2*7H,2-6H2,1H3;6H,1-5H3;2*5-6H2,1-4H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3/t;;;;;;;;;;7-;/m..........0./s1.

What are the key properties of 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?

1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane has a molecular weight of 1280.57 g/mol, XLogP of 34.44, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is sourced from PubChem (CID 165032332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).