butane;ethane;propane;prop-1-ene

C14H36 — CID 143366707

IUPACbutane;ethane;propane;prop-1-ene
SMILESC=CC.CC.CC.CCC.CCCC
InChIInChI=1S/C4H10.C3H8.C3H6.2C2H6/c1-3-4-2;2*1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyGVQHNEIVWKZRMI-UHFFFAOYSA-N
MW204.44 g/mol
LogP6.47
Rot. Bonds1

About butane;ethane;propane;prop-1-ene

butane;ethane;propane;prop-1-ene (PubChem CID 143366707) has the molecular formula C14H36 and a molecular weight of 204.44 g/mol. Its IUPAC name is butane;ethane;propane;prop-1-ene.

Molecular Properties

Compound Namebutane;ethane;propane;prop-1-ene
PubChem CID143366707
Molecular FormulaC14H36
Molecular Weight204.44 g/mol
Exact Mass204.28
IUPAC Namebutane;ethane;propane;prop-1-ene
SMILESC=CC.CC.CC.CCC.CCCC
InChIInChI=1S/C4H10.C3H8.C3H6.2C2H6/c1-3-4-2;2*1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyGVQHNEIVWKZRMI-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.44
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;propane;prop-1-ene?
The IUPAC name of butane;ethane;propane;prop-1-ene (CID 143366707) is butane;ethane;propane;prop-1-ene.
What is the SMILES notation for butane;ethane;propane;prop-1-ene?
The canonical SMILES for butane;ethane;propane;prop-1-ene is C=CC.CC.CC.CCC.CCCC.
What is the InChIKey of butane;ethane;propane;prop-1-ene?
The InChIKey is GVQHNEIVWKZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H8.C3H6.2C2H6/c1-3-4-2;2*1-3-2;2*1-2/h3-4H2,1-2H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of butane;ethane;propane;prop-1-ene?
butane;ethane;propane;prop-1-ene has a molecular weight of 204.44 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;propane;prop-1-ene is sourced from PubChem (CID 143366707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).