2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane

C83H186 — CID 164953421

IUPAC2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCC(C)(C)CC1.CC1CCCC1.CC1CCCCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC1CCCC1.CCC1CCCCC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C9H18.C8H16.2C7H14.2C6H12.C6H14.3C5H12.C4H8.C4H10.C3H8.4C2H6/c1-8-4-6-9(2,3)7-5-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;2*1-6-4-2-3-5-6;1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4-2-3-4;1-4(2)3;1-3-2;4*1-2/h8H,4-7H2,1-3H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;4*1-2H3/i;;;;2D2,3D2,4D2,5D2,6D;;;;;;;;;;;;
InChIKeyAVMCIJRBGUFWGW-AJSQCVGRSA-N
MW1193.46 g/mol
LogP32.97
Rot. Bonds4

About 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane

2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane (PubChem CID 164953421) has the molecular formula C83H186 and a molecular weight of 1193.46 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane.

Molecular Properties

Compound Name2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane
PubChem CID164953421
Molecular FormulaC83H186
Molecular Weight1193.46 g/mol
Exact Mass1192.51
IUPAC Name2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCC(C)(C)CC1.CC1CCCC1.CC1CCCCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC1CCCC1.CCC1CCCCC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H]
InChIInChI=1S/C9H18.C8H16.2C7H14.2C6H12.C6H14.3C5H12.C4H8.C4H10.C3H8.4C2H6/c1-8-4-6-9(2,3)7-5-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;2*1-6-4-2-3-5-6;1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4-2-3-4;1-4(2)3;1-3-2;4*1-2/h8H,4-7H2,1-3H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;4*1-2H3/i;;;;2D2,3D2,4D2,5D2,6D;;;;;;;;;;;;
InChIKeyAVMCIJRBGUFWGW-AJSQCVGRSA-N
XLogP32.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.46
LogP ≤ 532.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane with MolForge

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Related Compounds

2-deuterio-2-methylpropane;1-deuterio-1,4,4-trimethylcyclohexane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclopentane;2,2-dimethylbutane;bis(2,2-dimethylpropane);ethane;ethylcyclopentane;2-methylpropane;3-methylspiro[5.5]undecane;1,1,4-trimethylcyclohexane
CID 161427340
butane;2,2-dimethylbutane;(1R)-1,2-dimethylcyclopentane;2,2-dimethylpropane;ethane;ethylcyclobutane;ethylcyclopropane;methane;bis(2-methylbutane);methylcyclobutane;methylcyclopentane;methylcyclopropane;2-methylpropane;pentane;propane
CID 162066878
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclohexane;1,1-dideuterioethylcyclopentane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;8-methylspiro[4.5]decane;propane;3,3,9-trimethylspiro[5.5]undecane
CID 158813947
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862
butane;2,2-dimethylpropane;ethane;heptane;methane;bis(2-methylbutane);methylcyclohexane;2-methylpropane;pentane;propane
CID 160602933
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclohexane;1,1-dideuterioethylcyclopentane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;8-methylspiro[4.5]decane;propane
CID 159866603
1-deuterio-1-methylcyclohexane;3-deuterio-3-methylspiro[5.5]undecane;1-deuterio-1,3,3,5,5-pentamethylcyclohexane;2-deuterio-1,1,2,3,3-pentamethylcyclohexane;1-deuterio-1,4,4-trimethylcyclohexane;2,2-dimethylbutane;2,2-dimethylpropane;ethane;2-methylbutane
CID 163946683
4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
butane;2,2-dimethylbutane;3,3-dimethylpentane;ethane;2-methylbutane;3-methylpentane;2-methylpropane;1,1,3,3,5-pentamethylcyclohexane;propane;2,2,3-trimethylbutane;1,1,4-trimethylcyclohexane;2,3,4-trimethylpentane
CID 162094809
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-ethyl-4-methylcyclooctane;methane
CID 159989571
butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;ethane;8-methylspiro[4.5]decane;2,2,4,4,9-pentamethylspiro[5.5]undecane;propane;bis((3S)-1,1,1-trifluoro-3-methylpentane);3,3,9-trimethylspiro[5.5]undecane
CID 167654616

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane?
The IUPAC name of 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane (CID 164953421) is 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane.
What is the SMILES notation for 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane?
The canonical SMILES for 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane is CC.CC.CC.CC.CC(C)(C)C.CC(C)C.CC1CC1.CC1CCC(C)(C)CC1.CC1CCCC1.CC1CCCCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC1CCCC1.CCC1CCCCC1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C)C1([2H])[2H].
What is the InChIKey of 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane?
The InChIKey is AVMCIJRBGUFWGW-AJSQCVGRSA-N. The full InChI is InChI=1S/C9H18.C8H16.2C7H14.2C6H12.C6H14.3C5H12.C4H8.C4H10.C3H8.4C2H6/c1-8-4-6-9(2,3)7-5-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;2*1-6-4-2-3-5-6;1-5-6(2,3)4;1-5(2,3)4;2*1-4-5(2)3;1-4-2-3-4;1-4(2)3;1-3-2;4*1-2/h8H,4-7H2,1-3H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;2*6H,2-5H2,1H3;5H2,1-4H3;1-4H3;2*5H,4H2,1-3H3;4H,2-3H2,1H3;4H,1-3H3;3H2,1-2H3;4*1-2H3/i;;;;2D2,3D2,4D2,5D2,6D;;;;;;;;;;;;.
What are the key properties of 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane?
2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane has a molecular weight of 1193.46 g/mol, XLogP of 32.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,2-dimethylpropane;ethane;ethylcyclohexane;ethylcyclopentane;bis(2-methylbutane);methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylpropane;1,1,2,2,3,3,4,4,5-nonadeuterio-5-methylcyclopentane;propane;1,1,4-trimethylcyclohexane is sourced from PubChem (CID 164953421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).