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

C84H192 — CID 167622407

IUPAC2,2-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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC1.CC1C(C)C1C.CC1CC1(C)C.CCC(C)(C)C.CCC1(C)CC1.CCC1(C)CC1.CCC1CC1C.CCC1CCC1.CCC1C[C@@H]1C.CCCC1CC1.C[C@H]1CC1(C)C.C[C@H]1CC12CC2
InChIInChI=1S/C6H10.10C6H12.C6H14.12CH4/c1-5-4-6(5)2-3-6;2*1-5-4-6(5,2)3;1-5(2)6-3-4-6;1-4-5(2)6(4)3;2*1-3-6(2)4-5-6;2*1-3-6-4-5(6)2;1-2-6-4-3-5-6;1-2-3-6-4-5-6;1-5-6(2,3)4;;;;;;;;;;;;/h5H,2-4H2,1H3;2*5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;2*3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3;2*6H,2-5H2,1H3;5H2,1-4H3;12*1H4/t2*5-;;;;;;5-,6?;;;;;;;;;;;;;;;;/m00.....0................/s1
InChIKeyMPYRNSNQRIWJPH-ISOZTZFMSA-N
MW1202.46 g/mol
LogP32.84
Rot. Bonds8

About 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

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 (PubChem CID 167622407) has the molecular formula C84H192 and a molecular weight of 1202.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID167622407
Molecular FormulaC84H192
Molecular Weight1202.46 g/mol
Exact Mass1201.50
IUPAC Name2,2-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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC1.CC1C(C)C1C.CC1CC1(C)C.CCC(C)(C)C.CCC1(C)CC1.CCC1(C)CC1.CCC1CC1C.CCC1CCC1.CCC1C[C@@H]1C.CCCC1CC1.C[C@H]1CC1(C)C.C[C@H]1CC12CC2
InChIInChI=1S/C6H10.10C6H12.C6H14.12CH4/c1-5-4-6(5)2-3-6;2*1-5-4-6(5,2)3;1-5(2)6-3-4-6;1-4-5(2)6(4)3;2*1-3-6(2)4-5-6;2*1-3-6-4-5(6)2;1-2-6-4-3-5-6;1-2-3-6-4-5-6;1-5-6(2,3)4;;;;;;;;;;;;/h5H,2-4H2,1H3;2*5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;2*3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3;2*6H,2-5H2,1H3;5H2,1-4H3;12*1H4/t2*5-;;;;;;5-,6?;;;;;;;;;;;;;;;;/m00.....0................/s1
InChIKeyMPYRNSNQRIWJPH-ISOZTZFMSA-N
XLogP32.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.46
LogP ≤ 532.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
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-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
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
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
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
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
CID 65091606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CC1.CC1C(C)C1C.CC1CC1(C)C.CCC(C)(C)C.CCC1(C)CC1.CCC1(C)CC1.CCC1CC1C.CCC1CCC1.CCC1C[C@@H]1C.CCCC1CC1.C[C@H]1CC1(C)C.C[C@H]1CC12CC2.
What is the InChIKey of 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?
The InChIKey is MPYRNSNQRIWJPH-ISOZTZFMSA-N. The full InChI is InChI=1S/C6H10.10C6H12.C6H14.12CH4/c1-5-4-6(5)2-3-6;2*1-5-4-6(5,2)3;1-5(2)6-3-4-6;1-4-5(2)6(4)3;2*1-3-6(2)4-5-6;2*1-3-6-4-5(6)2;1-2-6-4-3-5-6;1-2-3-6-4-5-6;1-5-6(2,3)4;;;;;;;;;;;;/h5H,2-4H2,1H3;2*5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;2*3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3;2*6H,2-5H2,1H3;5H2,1-4H3;12*1H4/t2*5-;;;;;;5-,6?;;;;;;;;;;;;;;;;/m00.....0................/s1.
What are the key properties of 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?
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 has a molecular weight of 1202.46 g/mol, XLogP of 32.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167622407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).