acetylene;ethane;2-methylpropane;propane

C15H38 — CID 143337726

IUPACacetylene;ethane;2-methylpropane;propane
SMILESC#C.CC.CC.CC.CC(C)C.CCC
InChIInChI=1S/C4H10.C3H8.3C2H6.C2H2/c1-4(2)3;1-3-2;4*1-2/h4H,1-3H3;3H2,1-2H3;3*1-2H3;1-2H
InChIKeyRGPYCFQEEIHIOB-UHFFFAOYSA-N
MW218.47 g/mol
LogP6.41
Rot. Bonds

About acetylene;ethane;2-methylpropane;propane

acetylene;ethane;2-methylpropane;propane (PubChem CID 143337726) has the molecular formula C15H38 and a molecular weight of 218.47 g/mol. Its IUPAC name is acetylene;ethane;2-methylpropane;propane.

Molecular Properties

Compound Nameacetylene;ethane;2-methylpropane;propane
PubChem CID143337726
Molecular FormulaC15H38
Molecular Weight218.47 g/mol
Exact Mass218.30
IUPAC Nameacetylene;ethane;2-methylpropane;propane
SMILESC#C.CC.CC.CC.CC(C)C.CCC
InChIInChI=1S/C4H10.C3H8.3C2H6.C2H2/c1-4(2)3;1-3-2;4*1-2/h4H,1-3H3;3H2,1-2H3;3*1-2H3;1-2H
InChIKeyRGPYCFQEEIHIOB-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.47
LogP ≤ 56.41
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 acetylene;ethane;2-methylpropane;propane?
The IUPAC name of acetylene;ethane;2-methylpropane;propane (CID 143337726) is acetylene;ethane;2-methylpropane;propane.
What is the SMILES notation for acetylene;ethane;2-methylpropane;propane?
The canonical SMILES for acetylene;ethane;2-methylpropane;propane is C#C.CC.CC.CC.CC(C)C.CCC.
What is the InChIKey of acetylene;ethane;2-methylpropane;propane?
The InChIKey is RGPYCFQEEIHIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H8.3C2H6.C2H2/c1-4(2)3;1-3-2;4*1-2/h4H,1-3H3;3H2,1-2H3;3*1-2H3;1-2H.
What are the key properties of acetylene;ethane;2-methylpropane;propane?
acetylene;ethane;2-methylpropane;propane has a molecular weight of 218.47 g/mol, XLogP of 6.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;2-methylpropane;propane is sourced from PubChem (CID 143337726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).