but-1-ene;ethylcyclobutane;ethylcyclopropane;methane

C18H42 — CID 158958125

IUPACbut-1-ene;ethylcyclobutane;ethylcyclopropane;methane
SMILESC.C.C.C=CCC.CCC1CC1.CCC1CCC1
InChIInChI=1S/C6H12.C5H10.C4H8.3CH4/c1-2-6-4-3-5-6;1-2-5-3-4-5;1-3-4-2;;;/h6H,2-5H2,1H3;5H,2-4H2,1H3;3H,1,4H2,2H3;3*1H4
InChIKeyJMGRYSHJZWTDHN-UHFFFAOYSA-N
MW258.53 g/mol
LogP7.49
Rot. Bonds3

About but-1-ene;ethylcyclobutane;ethylcyclopropane;methane

but-1-ene;ethylcyclobutane;ethylcyclopropane;methane (PubChem CID 158958125) has the molecular formula C18H42 and a molecular weight of 258.53 g/mol. Its IUPAC name is but-1-ene;ethylcyclobutane;ethylcyclopropane;methane.

Molecular Properties

Compound Namebut-1-ene;ethylcyclobutane;ethylcyclopropane;methane
PubChem CID158958125
Molecular FormulaC18H42
Molecular Weight258.53 g/mol
Exact Mass258.33
IUPAC Namebut-1-ene;ethylcyclobutane;ethylcyclopropane;methane
SMILESC.C.C.C=CCC.CCC1CC1.CCC1CCC1
InChIInChI=1S/C6H12.C5H10.C4H8.3CH4/c1-2-6-4-3-5-6;1-2-5-3-4-5;1-3-4-2;;;/h6H,2-5H2,1H3;5H,2-4H2,1H3;3H,1,4H2,2H3;3*1H4
InChIKeyJMGRYSHJZWTDHN-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.53
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethylcyclopentane;prop-1-ene
CID 142059151
ethane;ethene;ethylcyclobutane
CID 164586585
ethylcyclopentane;methane
CID 143390575
ethenol;ethylcyclopropane
CID 18331953
ethylcyclobutane;methanamine
CID 175532329
cyclopropane;ethylcyclobutane;propane
CID 142456817
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
chromium;bis(ethylcyclopentane)
CID 91996240
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethylcyclobutane;ethylcyclopropane;methane?
The IUPAC name of but-1-ene;ethylcyclobutane;ethylcyclopropane;methane (CID 158958125) is but-1-ene;ethylcyclobutane;ethylcyclopropane;methane.
What is the SMILES notation for but-1-ene;ethylcyclobutane;ethylcyclopropane;methane?
The canonical SMILES for but-1-ene;ethylcyclobutane;ethylcyclopropane;methane is C.C.C.C=CCC.CCC1CC1.CCC1CCC1.
What is the InChIKey of but-1-ene;ethylcyclobutane;ethylcyclopropane;methane?
The InChIKey is JMGRYSHJZWTDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10.C4H8.3CH4/c1-2-6-4-3-5-6;1-2-5-3-4-5;1-3-4-2;;;/h6H,2-5H2,1H3;5H,2-4H2,1H3;3H,1,4H2,2H3;3*1H4.
What are the key properties of but-1-ene;ethylcyclobutane;ethylcyclopropane;methane?
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane has a molecular weight of 258.53 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethylcyclobutane;ethylcyclopropane;methane is sourced from PubChem (CID 158958125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).