but-1-ene;ethane;pentane

C13H32 — CID 142205498

IUPACbut-1-ene;ethane;pentane
SMILESC=CCC.CC.CC.CCCCC
InChIInChI=1S/C5H12.C4H8.2C2H6/c1-3-5-4-2;1-3-4-2;2*1-2/h3-5H2,1-2H3;3H,1,4H2,2H3;2*1-2H3
InChIKeyCEJBGNIOPUNFQF-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.83
Rot. Bonds3

About but-1-ene;ethane;pentane

but-1-ene;ethane;pentane (PubChem CID 142205498) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is but-1-ene;ethane;pentane.

Molecular Properties

Compound Namebut-1-ene;ethane;pentane
PubChem CID142205498
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Namebut-1-ene;ethane;pentane
SMILESC=CCC.CC.CC.CCCCC
InChIInChI=1S/C5H12.C4H8.2C2H6/c1-3-5-4-2;1-3-4-2;2*1-2/h3-5H2,1-2H3;3H,1,4H2,2H3;2*1-2H3
InChIKeyCEJBGNIOPUNFQF-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.83
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

but-1-ene;ethane;nonane
CID 170645806
butane;bis(but-1-ene)
CID 160596310
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
but-1-ene;hexakis(hex-1-ene)
CID 161273113
butane;but-1-ene;ethane;methanamine
CID 145230806
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
tetrakis(but-1-ene);oct-1-ene
CID 158942238
butane;pentane;prop-1-ene
CID 144903825
but-1-ene;ethane;N-heptyl-N-methylheptan-1-amine
CID 172567126

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;pentane?
The IUPAC name of but-1-ene;ethane;pentane (CID 142205498) is but-1-ene;ethane;pentane.
What is the SMILES notation for but-1-ene;ethane;pentane?
The canonical SMILES for but-1-ene;ethane;pentane is C=CCC.CC.CC.CCCCC.
What is the InChIKey of but-1-ene;ethane;pentane?
The InChIKey is CEJBGNIOPUNFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H8.2C2H6/c1-3-5-4-2;1-3-4-2;2*1-2/h3-5H2,1-2H3;3H,1,4H2,2H3;2*1-2H3.
What are the key properties of but-1-ene;ethane;pentane?
but-1-ene;ethane;pentane has a molecular weight of 188.40 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;pentane is sourced from PubChem (CID 142205498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).