but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane

C18H38 — CID 166106130

IUPACbut-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane
SMILESC=CC(C)C.C=CCC.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C5H10.C4H8.C2H6/c1-7-5-3-2-4-6-7;1-4-5(2)3;1-3-4-2;1-2/h7H,2-6H2,1H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyCDOLGKJUPXREMH-UHFFFAOYSA-N
MW254.50 g/mol
LogP7.02
Rot. Bonds2

About but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane

but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane (PubChem CID 166106130) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane.

Molecular Properties

Compound Namebut-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane
PubChem CID166106130
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Namebut-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane
SMILESC=CC(C)C.C=CCC.CC.CC1CCCCC1
InChIInChI=1S/C7H14.C5H10.C4H8.C2H6/c1-7-5-3-2-4-6-7;1-4-5(2)3;1-3-4-2;1-2/h7H,2-6H2,1H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyCDOLGKJUPXREMH-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-1-ene;ethane;methylcyclopentane
CID 153403390
ethane;methylcyclohexane;prop-1-ene
CID 143795195
ethane;methylcyclopentane;prop-1-ene
CID 142437781
ethane;methylcyclopentane;propane
CID 142080084
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
ethanamine;ethane;methylcyclohexane
CID 143506245
methane;methylcyclohexane;propane
CID 143031585
acetylene;cyclopropane;ethane;3-methylbut-1-ene
CID 144527433
ethene;methylcyclopentane;propane
CID 143370211
CID 162071165
CID 162071165
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane?
The IUPAC name of but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane (CID 166106130) is but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane.
What is the SMILES notation for but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane?
The canonical SMILES for but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane is C=CC(C)C.C=CCC.CC.CC1CCCCC1.
What is the InChIKey of but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane?
The InChIKey is CDOLGKJUPXREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C5H10.C4H8.C2H6/c1-7-5-3-2-4-6-7;1-4-5(2)3;1-3-4-2;1-2/h7H,2-6H2,1H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane?
but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane has a molecular weight of 254.50 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;3-methylbut-1-ene;methylcyclohexane is sourced from PubChem (CID 166106130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).