but-1-ene;ethane;methylcyclopentane

C12H26 — CID 153403390

IUPACbut-1-ene;ethane;methylcyclopentane
SMILESC=CCC.CC.CC1CCCC1
InChIInChI=1S/C6H12.C4H8.C2H6/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3H,1,4H2,2H3;1-2H3
InChIKeyLNIUDXQBVLPIBW-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.81
Rot. Bonds1

About but-1-ene;ethane;methylcyclopentane

but-1-ene;ethane;methylcyclopentane (PubChem CID 153403390) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is but-1-ene;ethane;methylcyclopentane.

Molecular Properties

Compound Namebut-1-ene;ethane;methylcyclopentane
PubChem CID153403390
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namebut-1-ene;ethane;methylcyclopentane
SMILESC=CCC.CC.CC1CCCC1
InChIInChI=1S/C6H12.C4H8.C2H6/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3H,1,4H2,2H3;1-2H3
InChIKeyLNIUDXQBVLPIBW-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.81
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

6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
Allylcyclopentane
CID 77059
Vinylcyclopentane
CID 77345
4-Methylhept-1-ene
CID 518713
1-Octene, 6-methyl-
CID 518716
4-Methyl-1-octene
CID 518717
3-Ethyl-1-hexene
CID 103003
(5S)-5-Methylhept-1-ene
CID 12567238
4,6-Dimethylhept-1-ene
CID 13437467
5-Methyl-1-octene
CID 527118

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;methylcyclopentane?
The IUPAC name of but-1-ene;ethane;methylcyclopentane (CID 153403390) is but-1-ene;ethane;methylcyclopentane.
What is the SMILES notation for but-1-ene;ethane;methylcyclopentane?
The canonical SMILES for but-1-ene;ethane;methylcyclopentane is C=CCC.CC.CC1CCCC1.
What is the InChIKey of but-1-ene;ethane;methylcyclopentane?
The InChIKey is LNIUDXQBVLPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.C2H6/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;methylcyclopentane?
but-1-ene;ethane;methylcyclopentane has a molecular weight of 170.34 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;methylcyclopentane is sourced from PubChem (CID 153403390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).