ethane;propane;prop-1-yne

C17H44 — CID 143714414

IUPACethane;propane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/2C3H8.C3H4.4C2H6/c3*1-3-2;4*1-2/h2*3H2,1-2H3;1H,2H3;4*1-2H3
InChIKeyWULJPZXJQIVELZ-UHFFFAOYSA-N
MW248.54 g/mol
LogP7.58
Rot. Bonds

About ethane;propane;prop-1-yne

ethane;propane;prop-1-yne (PubChem CID 143714414) has the molecular formula C17H44 and a molecular weight of 248.54 g/mol. Its IUPAC name is ethane;propane;prop-1-yne.

Molecular Properties

Compound Nameethane;propane;prop-1-yne
PubChem CID143714414
Molecular FormulaC17H44
Molecular Weight248.54 g/mol
Exact Mass248.34
IUPAC Nameethane;propane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/2C3H8.C3H4.4C2H6/c3*1-3-2;4*1-2/h2*3H2,1-2H3;1H,2H3;4*1-2H3
InChIKeyWULJPZXJQIVELZ-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.54
LogP ≤ 57.58
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 ethane;propane;prop-1-yne?
The IUPAC name of ethane;propane;prop-1-yne (CID 143714414) is ethane;propane;prop-1-yne.
What is the SMILES notation for ethane;propane;prop-1-yne?
The canonical SMILES for ethane;propane;prop-1-yne is C#CC.CC.CC.CC.CC.CCC.CCC.
What is the InChIKey of ethane;propane;prop-1-yne?
The InChIKey is WULJPZXJQIVELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.C3H4.4C2H6/c3*1-3-2;4*1-2/h2*3H2,1-2H3;1H,2H3;4*1-2H3.
What are the key properties of ethane;propane;prop-1-yne?
ethane;propane;prop-1-yne has a molecular weight of 248.54 g/mol, XLogP of 7.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;prop-1-yne is sourced from PubChem (CID 143714414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).