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

C71H150 — CID 159734682

IUPAC2,2-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
SMILESCC1C(C)(C)CCC1(C)C.CC1CC(C)C(C)C1.CC1CCC(C)C1C.CC1CCC[C@H]1C.CCC(C)(C)C.CCC(C)CC.CCCC(C)C.CCCC(C)C.CCCC1CC1.C[C@@H]1CCCC1(C)C
InChIInChI=1S/C10H20.3C8H16.C7H14.C6H12.4C6H14/c1-8-9(2,3)6-7-10(8,4)5;1-6-4-7(2)8(3)5-6;1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(6)2;1-2-3-6-4-5-6;1-5-6(2,3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h8H,6-7H2,1-5H3;6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;5H2,1-4H3;3*6H,4-5H2,1-3H3/t;;7-;;6-,7?;;;;;/m..1.1...../s1
InChIKeyNBRJYLXDZGNRTO-MOCWBKTPSA-N
MW1003.98 g/mol
LogP26.09
Rot. Bonds8

About 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

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 (PubChem CID 159734682) has the molecular formula C71H150 and a molecular weight of 1003.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID159734682
Molecular FormulaC71H150
Molecular Weight1003.98 g/mol
Exact Mass1003.17
IUPAC Name2,2-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
SMILESCC1C(C)(C)CCC1(C)C.CC1CC(C)C(C)C1.CC1CCC(C)C1C.CC1CCC[C@H]1C.CCC(C)(C)C.CCC(C)CC.CCCC(C)C.CCCC(C)C.CCCC1CC1.C[C@@H]1CCCC1(C)C
InChIInChI=1S/C10H20.3C8H16.C7H14.C6H12.4C6H14/c1-8-9(2,3)6-7-10(8,4)5;1-6-4-7(2)8(3)5-6;1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(6)2;1-2-3-6-4-5-6;1-5-6(2,3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h8H,6-7H2,1-5H3;6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;5H2,1-4H3;3*6H,4-5H2,1-3H3/t;;7-;;6-,7?;;;;;/m..1.1...../s1
InChIKeyNBRJYLXDZGNRTO-MOCWBKTPSA-N
XLogP26.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.98
LogP ≤ 526.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
(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
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
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
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;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
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;bis(2-methylhexane);3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159141613
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;methane;bis(2-methylhexane);(3R)-3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159815001
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
1,1-dimethylcyclobutane;1,3-dimethylcyclobutane;(2R)-1,2-dimethylcyclobutane;ethylcyclobutane;1-ethyl-2-methylcyclopropane;heptane;methylcyclopentane;bis(2-methylhexane);(3R)-3-methylhexane;(2S)-2-methylspiro[2.2]pentane;1,1,2-trimethylcyclopropane
CID 163827956
2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane
CID 158320647
(2S)-butan-2-amine;(2S)-butan-2-ol;cis-(1R,2S)-1,2-dimethylcyclopentane;2,2-difluorobutane;2,2-dimethylbutane;1,3-dimethylcyclobutane;2,3-dimethylpentane;(3S)-2,3-dimethylpentane;(2S)-2-ethoxybutane;1-ethyl-1-methylcyclopropane;(2S)-2-methoxybutane;2-methylbutane;2-methylpentane;3-methylpentane;pentane
CID 159684174

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(C)(C)CCC1(C)C.CC1CC(C)C(C)C1.CC1CCC(C)C1C.CC1CCC[C@H]1C.CCC(C)(C)C.CCC(C)CC.CCCC(C)C.CCCC(C)C.CCCC1CC1.C[C@@H]1CCCC1(C)C.
What is the InChIKey of 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?
The InChIKey is NBRJYLXDZGNRTO-MOCWBKTPSA-N. The full InChI is InChI=1S/C10H20.3C8H16.C7H14.C6H12.4C6H14/c1-8-9(2,3)6-7-10(8,4)5;1-6-4-7(2)8(3)5-6;1-7-5-4-6-8(7,2)3;1-6-4-5-7(2)8(6)3;1-6-4-3-5-7(6)2;1-2-3-6-4-5-6;1-5-6(2,3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h8H,6-7H2,1-5H3;6-8H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;5H2,1-4H3;3*6H,4-5H2,1-3H3/t;;7-;;6-,7?;;;;;/m..1.1...../s1.
What are the key properties of 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?
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 has a molecular weight of 1003.98 g/mol, XLogP of 26.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159734682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).