acetylene;ethane;3-methylpentane;propane

C15H32 — CID 143705259

IUPACacetylene;ethane;3-methylpentane;propane
SMILESC#C.C#C.CC.CCC.CCC(C)CC
InChIInChI=1S/C6H14.C3H8.C2H6.2C2H2/c1-4-6(3)5-2;1-3-2;3*1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3;2*1-2H
InChIKeyDDBFAMADZXKPRP-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.38
Rot. Bonds2

About acetylene;ethane;3-methylpentane;propane

acetylene;ethane;3-methylpentane;propane (PubChem CID 143705259) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is acetylene;ethane;3-methylpentane;propane.

Molecular Properties

Compound Nameacetylene;ethane;3-methylpentane;propane
PubChem CID143705259
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Nameacetylene;ethane;3-methylpentane;propane
SMILESC#C.C#C.CC.CCC.CCC(C)CC
InChIInChI=1S/C6H14.C3H8.C2H6.2C2H2/c1-4-6(3)5-2;1-3-2;3*1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3;2*1-2H
InChIKeyDDBFAMADZXKPRP-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylpentane;propane
CID 123266773
ethane;3-methylpentane
CID 91147782
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 153359275
methane;3-methylpentane
CID 157218592
methane;3-methylpentane;tritioethyne
CID 159244363
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(2S)-4-methylhexan-2-amine
CID 141201507
ethane;2-methylpropane;propane
CID 144940074
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;3-methylpentane;propane?
The IUPAC name of acetylene;ethane;3-methylpentane;propane (CID 143705259) is acetylene;ethane;3-methylpentane;propane.
What is the SMILES notation for acetylene;ethane;3-methylpentane;propane?
The canonical SMILES for acetylene;ethane;3-methylpentane;propane is C#C.C#C.CC.CCC.CCC(C)CC.
What is the InChIKey of acetylene;ethane;3-methylpentane;propane?
The InChIKey is DDBFAMADZXKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H8.C2H6.2C2H2/c1-4-6(3)5-2;1-3-2;3*1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3;2*1-2H.
What are the key properties of acetylene;ethane;3-methylpentane;propane?
acetylene;ethane;3-methylpentane;propane has a molecular weight of 212.42 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;3-methylpentane;propane is sourced from PubChem (CID 143705259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).