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

C63H126 — CID 158590592

IUPACbis(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
SMILESCC(C)C1CCC1.CC1CC(C)(C)C1.CCC1(C)CCC1.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CCC1C.CCC1CC[C@@H]1C.CCCC1CCC1.C[C@H]1CCC1(C)C
InChIInChI=1S/9C7H14/c1-6-4-7(2,3)5-6;1-6-4-5-7(6,2)3;1-6(2)7-4-3-5-7;1-3-7-4-6(2)5-7;2*1-3-7(2)5-4-6-7;2*1-3-7-5-4-6(7)2;1-2-4-7-5-3-6-7/h2*6H,4-5H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3/t;6-;;;;;6-,7?;;/m.0....0../s1
InChIKeyHUJYVSJCNIYFCV-OZZLAAMSSA-N
MW883.70 g/mol
LogP22.41
Rot. Bonds8

About 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

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 (PubChem CID 158590592) has the molecular formula C63H126 and a molecular weight of 883.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID158590592
Molecular FormulaC63H126
Molecular Weight883.70 g/mol
Exact Mass882.99
IUPAC Namebis(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
SMILESCC(C)C1CCC1.CC1CC(C)(C)C1.CCC1(C)CCC1.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CCC1C.CCC1CC[C@@H]1C.CCCC1CCC1.C[C@H]1CCC1(C)C
InChIInChI=1S/9C7H14/c1-6-4-7(2,3)5-6;1-6-4-5-7(6,2)3;1-6(2)7-4-3-5-7;1-3-7-4-6(2)5-7;2*1-3-7(2)5-4-6-7;2*1-3-7-5-4-6(7)2;1-2-4-7-5-3-6-7/h2*6H,4-5H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3/t;6-;;;;;6-,7?;;/m.0....0../s1
InChIKeyHUJYVSJCNIYFCV-OZZLAAMSSA-N
XLogP22.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.70
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
(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-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
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
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(1,4-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
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
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
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
CID 123952928
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCC1.CC1CC(C)(C)C1.CCC1(C)CCC1.CCC1(C)CCC1.CCC1CC(C)C1.CCC1CCC1C.CCC1CC[C@@H]1C.CCCC1CCC1.C[C@H]1CCC1(C)C.
What is the InChIKey of 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?
The InChIKey is HUJYVSJCNIYFCV-OZZLAAMSSA-N. The full InChI is InChI=1S/9C7H14/c1-6-4-7(2,3)5-6;1-6-4-5-7(6,2)3;1-6(2)7-4-3-5-7;1-3-7-4-6(2)5-7;2*1-3-7(2)5-4-6-7;2*1-3-7-5-4-6(7)2;1-2-4-7-5-3-6-7/h2*6H,4-5H2,1-3H3;2*6-7H,3-5H2,1-2H3;2*3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;7H,2-6H2,1H3/t;6-;;;;;6-,7?;;/m.0....0../s1.
What are the key properties of 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?
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 has a molecular weight of 883.70 g/mol, XLogP of 22.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158590592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).