but-2-yne;propane

C7H14 — CID 91502887

IUPACbut-2-yne;propane
SMILESCC#CC.CCC
InChIInChI=1S/C4H6.C3H8/c1-3-4-2;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyBHOSIPSLZHGUTO-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.45
Rot. Bonds

About but-2-yne;propane

but-2-yne;propane (PubChem CID 91502887) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is but-2-yne;propane.

Molecular Properties

Compound Namebut-2-yne;propane
PubChem CID91502887
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namebut-2-yne;propane
SMILESCC#CC.CCC
InChIInChI=1S/C4H6.C3H8/c1-3-4-2;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyBHOSIPSLZHGUTO-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.45
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 but-2-yne;propane?
The IUPAC name of but-2-yne;propane (CID 91502887) is but-2-yne;propane.
What is the SMILES notation for but-2-yne;propane?
The canonical SMILES for but-2-yne;propane is CC#CC.CCC.
What is the InChIKey of but-2-yne;propane?
The InChIKey is BHOSIPSLZHGUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H8/c1-3-4-2;1-3-2/h1-2H3;3H2,1-2H3.
What are the key properties of but-2-yne;propane?
but-2-yne;propane has a molecular weight of 98.19 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;propane is sourced from PubChem (CID 91502887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).