butane;ethane;prop-1-yne

C19H50 — CID 155747603

IUPACbutane;ethane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H10.C3H4.6C2H6/c1-3-4-2;1-3-2;6*1-2/h3-4H2,1-2H3;1H,2H3;6*1-2H3
InChIKeyZVPMPDMKXPGLFS-UHFFFAOYSA-N
MW278.61 g/mol
LogP8.60
Rot. Bonds1

About butane;ethane;prop-1-yne

butane;ethane;prop-1-yne (PubChem CID 155747603) has the molecular formula C19H50 and a molecular weight of 278.61 g/mol. Its IUPAC name is butane;ethane;prop-1-yne.

Molecular Properties

Compound Namebutane;ethane;prop-1-yne
PubChem CID155747603
Molecular FormulaC19H50
Molecular Weight278.61 g/mol
Exact Mass278.39
IUPAC Namebutane;ethane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC.CC.CCCC
InChIInChI=1S/C4H10.C3H4.6C2H6/c1-3-4-2;1-3-2;6*1-2/h3-4H2,1-2H3;1H,2H3;6*1-2H3
InChIKeyZVPMPDMKXPGLFS-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.61
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;prop-1-yne?
The IUPAC name of butane;ethane;prop-1-yne (CID 155747603) is butane;ethane;prop-1-yne.
What is the SMILES notation for butane;ethane;prop-1-yne?
The canonical SMILES for butane;ethane;prop-1-yne is C#CC.CC.CC.CC.CC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;prop-1-yne?
The InChIKey is ZVPMPDMKXPGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H4.6C2H6/c1-3-4-2;1-3-2;6*1-2/h3-4H2,1-2H3;1H,2H3;6*1-2H3.
What are the key properties of butane;ethane;prop-1-yne?
butane;ethane;prop-1-yne has a molecular weight of 278.61 g/mol, XLogP of 8.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;prop-1-yne is sourced from PubChem (CID 155747603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).