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

C70H156 — CID 163993832

IUPAC(1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)
SMILESCC(C)C(C)(C)C.CC(C)C(C)(C)C.CC1CCCCC1.CC1CCC[C@H]1C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)CC.CCCC(C)CC
InChIInChI=1S/2C7H14.8C7H16/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;2*1-6(2)7(3,4)5;2*1-5-7(3,4)6-2;2*1-5-7(4)6(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3/h6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2*6H,1-5H3;2*5-6H2,1-4H3;2*6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3/t6-,7?;;;;;;;;;/m1........./s1
InChIKeyUCYRFYUGPKGFBI-ZHGSLONYSA-N
MW998.02 g/mol
LogP27.11
Rot. Bonds14

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

(1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane) (PubChem CID 163993832) has the molecular formula C70H156 and a molecular weight of 998.02 g/mol. Its IUPAC name is (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane).

Molecular Properties

Compound Name(1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)
PubChem CID163993832
Molecular FormulaC70H156
Molecular Weight998.02 g/mol
Exact Mass997.22
IUPAC Name(1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)
SMILESCC(C)C(C)(C)C.CC(C)C(C)(C)C.CC1CCCCC1.CC1CCC[C@H]1C.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)CC.CCCC(C)CC
InChIInChI=1S/2C7H14.8C7H16/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;2*1-6(2)7(3,4)5;2*1-5-7(3,4)6-2;2*1-5-7(4)6(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3/h6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2*6H,1-5H3;2*5-6H2,1-4H3;2*6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3/t6-,7?;;;;;;;;;/m1........./s1
InChIKeyUCYRFYUGPKGFBI-ZHGSLONYSA-N
XLogP27.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.02
LogP ≤ 527.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)?
The IUPAC name of (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane) (CID 163993832) is (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane).
What is the SMILES notation for (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)?
The canonical SMILES for (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;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.CCC(C)(C)CC.CCC(C)(C)CC.CCC(C)C(C)C.CCC(C)C(C)C.CCC(CC)CC.CCCC(C)CC.
What is the InChIKey of (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)?
The InChIKey is UCYRFYUGPKGFBI-ZHGSLONYSA-N. The full InChI is InChI=1S/2C7H14.8C7H16/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;2*1-6(2)7(3,4)5;2*1-5-7(3,4)6-2;2*1-5-7(4)6(2)3;1-4-6-7(3)5-2;1-4-7(5-2)6-3/h6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2*6H,1-5H3;2*5-6H2,1-4H3;2*6-7H,5H2,1-4H3;2*7H,4-6H2,1-3H3/t6-,7?;;;;;;;;;/m1........./s1.
What are the key properties of (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane)?
(1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane) has a molecular weight of 998.02 g/mol, XLogP of 27.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-dimethylcyclopentane;bis(2,3-dimethylpentane);bis(3,3-dimethylpentane);3-ethylpentane;methylcyclohexane;3-methylhexane;bis(2,2,3-trimethylbutane) is sourced from PubChem (CID 163993832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).