(1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)

C91H202 — CID 158686402

About (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)

(1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane) (PubChem CID 158686402) has the molecular formula C91H202 and a molecular weight of 1296.62 g/mol. Its IUPAC name is (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane).

Molecular Properties

• Compound Name: (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)
• PubChem CID: 158686402
• Molecular Formula: C91H202
• Molecular Weight: 1296.62 g/mol
• Exact Mass: 1295.58
• IUPAC Name: (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)
• SMILES: CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC1CCCCC1.CC1CCC[C@H]1C.CC1CC[C@@H](C)C1.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)CC.CCCC(C)(C)C.CCCC(C)CC.CCCC(C)CC
• InChI: InChI=1S/3C7H14.10C7H16/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;2*1-6(2)7(3,4)5;1-5-6-7(2,3)4;2*1-5-7(3,4)6-2;2*1-5-7(4)6(2)3;2*1-4-6-7(3)5-2;1-4-7(5-2)6-3/h2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2*6H,1-5H3;3*5-6H2,1-4H3;2*6-7H,5H2,1-4H3;3*7H,4-6H2,1-3H3/t2*6-,7?;;;;;;;;;;;/m11.........../s1
• InChIKey: IFUHZAVCCDLUFV-JYLXZHJASA-N
• XLogP: 35.22
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1296.62
LogP ≤ 5	35.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)?

The IUPAC name of (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane) (CID 158686402) is (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane).

What is the SMILES notation for (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)?

The canonical SMILES for (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane) is CC(C)C(C)(C)C.CC(C)C(C)(C)C.CC1CCCCC1.CC1CCC[C@H]1C.CC1CC[C@@H](C)C1.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)CC.CCCC(C)(C)C.CCCC(C)CC.CCCC(C)CC.

What is the InChIKey of (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)?

The InChIKey is IFUHZAVCCDLUFV-JYLXZHJASA-N. The full InChI is InChI=1S/3C7H14.10C7H16/c1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;2*1-6(2)7(3,4)5;1-5-6-7(2,3)4;2*1-5-7(3,4)6-2;2*1-5-7(4)6(2)3;2*1-4-6-7(3)5-2;1-4-7(5-2)6-3/h2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2*6H,1-5H3;3*5-6H2,1-4H3;2*6-7H,5H2,1-4H3;3*7H,4-6H2,1-3H3/t2*6-,7?;;;;;;;;;;;/m11.........../s1.

What are the key properties of (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane)?

(1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane) has a molecular weight of 1296.62 g/mol, XLogP of 35.22, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1,2-dimethylcyclopentane;(3R)-1,3-dimethylcyclopentane;2,2-dimethylpentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;bis(3-methylhexane);bis(2,2,3-trimethylbutane) is sourced from PubChem (CID 158686402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).