bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane

C88H176 — CID 163579621

IUPACbis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
SMILESCC(C)C1CCCC1.CC1CC(C)C(C)C1.CC1CCC(C)(C)C1.CC1CCC(C)C1C.CC1CCCC1(C)C.CCC1(C)CCCC1.CCC1(C)CCCC1.CCC1CCCC1C.CCCC1CCCC1.C[C@H]1CCC(C)(C)C1.C[C@H]1CCCC1(C)C
InChIInChI=1S/11C8H16/c1-6-4-7(2)8(3)5-6;2*1-7-4-5-8(2,3)6-7;2*1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-7(2)8-5-3-4-6-8;2*1-3-8(2)6-4-5-7-8;1-3-8-6-4-5-7(8)2;1-2-5-8-6-3-4-7-8/h6-8H,4-5H2,1-3H3;4*7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-7H2,1-2H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3/t;7-;;7-;;;;;;;/m.0.0......./s1
InChIKeyGGKNQCDLUKPBQP-IXBCKXOFSA-N
MW1234.38 g/mol
LogP31.30
Rot. Bonds6

About bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane

bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane (PubChem CID 163579621) has the molecular formula C88H176 and a molecular weight of 1234.38 g/mol. Its IUPAC name is bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane.

Molecular Properties

Compound Namebis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
PubChem CID163579621
Molecular FormulaC88H176
Molecular Weight1234.38 g/mol
Exact Mass1233.38
IUPAC Namebis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
SMILESCC(C)C1CCCC1.CC1CC(C)C(C)C1.CC1CCC(C)(C)C1.CC1CCC(C)C1C.CC1CCCC1(C)C.CCC1(C)CCCC1.CCC1(C)CCCC1.CCC1CCCC1C.CCCC1CCCC1.C[C@H]1CCC(C)(C)C1.C[C@H]1CCCC1(C)C
InChIInChI=1S/11C8H16/c1-6-4-7(2)8(3)5-6;2*1-7-4-5-8(2,3)6-7;2*1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-7(2)8-5-3-4-6-8;2*1-3-8(2)6-4-5-7-8;1-3-8-6-4-5-7(8)2;1-2-5-8-6-3-4-7-8/h6-8H,4-5H2,1-3H3;4*7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-7H2,1-2H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3/t;7-;;7-;;;;;;;/m.0.0......./s1
InChIKeyGGKNQCDLUKPBQP-IXBCKXOFSA-N
XLogP31.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.38
LogP ≤ 531.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane with MolForge

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Related Compounds

butan-2-ylcyclobutane;tert-butylcyclobutane;1-ethyl-2-methylcyclopentane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane
CID 160862654
bis(1-ethyl-1-methylcyclobutane);1-ethyl-2-methylcyclobutane;1-ethyl-3-methylcyclobutane;(2S)-1-ethyl-2-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;1,1,3-trimethylcyclobutane;(2S)-1,1,2-trimethylcyclobutane
CID 158590592
(3R)-1,3-dimethylcyclopentane;ethylcyclopentane;bis(1-ethyl-1-methylcyclobutane);1-ethyl-3-methylcyclobutane;propan-2-ylcyclobutane;propylcyclobutane;(3R)-1,1,3-trimethylcyclopentane
CID 167653207
butan-2-ylcyclobutane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;bis(1,2,3-trimethylcyclopentane);1,2,4-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
CID 163608316
2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane
CID 159734682
1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;bis(1-ethyl-3-methylcyclobutane);(2S)-1-ethyl-2-methylcyclobutane;1,1,2-trimethylcyclobutane;bis(1,1,3-trimethylcyclobutane);bis(1,2,3-trimethylcyclobutane);(2S)-1,1,2-trimethylcyclobutane
CID 163915226
2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;methylcyclohexane;bis(2-methylpentane);3-methylpentane;1,1,2,3,3-pentamethylcyclopentane;propylcyclopropane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2R)-1,1,2-trimethylcyclopentane
CID 158361454
bis(1,4-dimethylcyclohexane);1-ethoxy-4-methylcyclohexane;1-ethyl-2-methylcyclohexane;1-ethyl-3-methylcyclohexane;1-ethyl-4-methylcyclohexane;methane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-2-propylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,3-trimethoxy-5-methylcyclohexane;1,1,4-trimethylcyclohexane;1,3,5-trimethylcyclohexane;1,2,3-trimethylcyclopentane
CID 160579088
2,2-dimethylbutane;ethylcyclobutane;bis(1-ethyl-1-methylcyclopropane);1-ethyl-2-methylcyclopropane;(2S)-1-ethyl-2-methylcyclopropane;methane;(2S)-2-methylspiro[2.2]pentane;propan-2-ylcyclopropane;propylcyclopropane;1,1,2-trimethylcyclopropane;1,2,3-trimethylcyclopropane;(2S)-1,1,2-trimethylcyclopropane
CID 167622407
1-ethyl-2,3-dimethylcyclobutane;1-ethyl-1-methylcyclobutane;1-ethyl-2-methylcyclobutane;1,1,2,3-tetramethylcyclobutane;1,1,2-trimethylcyclobutane;(1S)-1,2,3-trimethylcyclobutane;1,1,3-trimethylcyclobutane;1,2,3-trimethylcyclobutane;(2S)-1,1,2-trimethylcyclobutane
CID 167689658
butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
CID 159888503
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;2-methylhexane;(3R)-3-methylhexane;1,1,2,3,3-pentamethylcyclohexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
CID 162229638

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane?
The IUPAC name of bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane (CID 163579621) is bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane.
What is the SMILES notation for bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane?
The canonical SMILES for bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane is CC(C)C1CCCC1.CC1CC(C)C(C)C1.CC1CCC(C)(C)C1.CC1CCC(C)C1C.CC1CCCC1(C)C.CCC1(C)CCCC1.CCC1(C)CCCC1.CCC1CCCC1C.CCCC1CCCC1.C[C@H]1CCC(C)(C)C1.C[C@H]1CCCC1(C)C.
What is the InChIKey of bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane?
The InChIKey is GGKNQCDLUKPBQP-IXBCKXOFSA-N. The full InChI is InChI=1S/11C8H16/c1-6-4-7(2)8(3)5-6;2*1-7-4-5-8(2,3)6-7;2*1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-7(2)8-5-3-4-6-8;2*1-3-8(2)6-4-5-7-8;1-3-8-6-4-5-7(8)2;1-2-5-8-6-3-4-7-8/h6-8H,4-5H2,1-3H3;4*7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;2*3-7H2,1-2H3;7-8H,3-6H2,1-2H3;8H,2-7H2,1H3/t;7-;;7-;;;;;;;/m.0.0......./s1.
What are the key properties of bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane?
bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane has a molecular weight of 1234.38 g/mol, XLogP of 31.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-1-methylcyclopentane);1-ethyl-2-methylcyclopentane;propan-2-ylcyclopentane;propylcyclopentane;1,1,2-trimethylcyclopentane;1,1,3-trimethylcyclopentane;1,2,3-trimethylcyclopentane;1,2,4-trimethylcyclopentane;(2S)-1,1,2-trimethylcyclopentane;(3S)-1,1,3-trimethylcyclopentane is sourced from PubChem (CID 163579621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).