cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane

C40H104 — CID 158476891

IUPACcyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
SMILESC.C.C.C.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1.CCC1CCC1
InChIInChI=1S/C6H12.2C5H10.C4H8.8C2H6.4CH4/c1-2-6-4-3-5-6;2*1-5-3-2-4-5;1-2-4-3-1;8*1-2;;;;/h6H,2-5H2,1H3;2*5H,2-4H2,1H3;1-4H2;8*1-2H3;4*1H4
InChIKeyHHAZAGKCQBZNKH-UHFFFAOYSA-N
MW585.27 g/mol
LogP18.12
Rot. Bonds1

About cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane

cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane (PubChem CID 158476891) has the molecular formula C40H104 and a molecular weight of 585.27 g/mol. Its IUPAC name is cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane.

Molecular Properties

Compound Namecyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
PubChem CID158476891
Molecular FormulaC40H104
Molecular Weight585.27 g/mol
Exact Mass584.81
IUPAC Namecyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
SMILESC.C.C.C.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1.CCC1CCC1
InChIInChI=1S/C6H12.2C5H10.C4H8.8C2H6.4CH4/c1-2-6-4-3-5-6;2*1-5-3-2-4-5;1-2-4-3-1;8*1-2;;;;/h6H,2-5H2,1H3;2*5H,2-4H2,1H3;1-4H2;8*1-2H3;4*1H4
InChIKeyHHAZAGKCQBZNKH-UHFFFAOYSA-N
XLogP18.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.27
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142456817
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CID 159989571
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CID 164586585
ethylcyclopentane;methane
CID 143390575
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
ethane;ethylcyclopentane;methylcyclohexane;2-methyloxirane
CID 158402026
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CID 162292868
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
ethylcyclobutane;methanamine
CID 175532329
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane?
The IUPAC name of cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane (CID 158476891) is cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane.
What is the SMILES notation for cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane?
The canonical SMILES for cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane is C.C.C.C.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1.CCC1CCC1.
What is the InChIKey of cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane?
The InChIKey is HHAZAGKCQBZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H10.C4H8.8C2H6.4CH4/c1-2-6-4-3-5-6;2*1-5-3-2-4-5;1-2-4-3-1;8*1-2;;;;/h6H,2-5H2,1H3;2*5H,2-4H2,1H3;1-4H2;8*1-2H3;4*1H4.
What are the key properties of cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane?
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane has a molecular weight of 585.27 g/mol, XLogP of 18.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane is sourced from PubChem (CID 158476891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).