methane;prop-1-yne

C8H24 — CID 157284750

IUPACmethane;prop-1-yne
SMILESC.C.C.C.C.C#CC
InChIInChI=1S/C3H4.5CH4/c1-3-2;;;;;/h1H,2H3;5*1H4
InChIKeyBACAOWCWTPQNDI-UHFFFAOYSA-N
MW120.28 g/mol
LogP3.82
Rot. Bonds

About methane;prop-1-yne

methane;prop-1-yne (PubChem CID 157284750) has the molecular formula C8H24 and a molecular weight of 120.28 g/mol. Its IUPAC name is methane;prop-1-yne.

Molecular Properties

Compound Namemethane;prop-1-yne
PubChem CID157284750
Molecular FormulaC8H24
Molecular Weight120.28 g/mol
Exact Mass120.19
IUPAC Namemethane;prop-1-yne
SMILESC.C.C.C.C.C#CC
InChIInChI=1S/C3H4.5CH4/c1-3-2;;;;;/h1H,2H3;5*1H4
InChIKeyBACAOWCWTPQNDI-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.28
LogP ≤ 53.82
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

ethyne;methane;prop-1-yne;uranium
CID 157366445
but-2-yne;bis(prop-1-yne)
CID 159474531
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690
acetylene;molecular hydrogen;prop-1-yne
CID 159941146
carbon dioxide;prop-1-yne
CID 161111477
ethane;methanethiol;prop-1-yne
CID 144528675
carbon monoxide;chromium;tris(prop-1-yne)
CID 11821199
benzene;ethane;prop-1-yne
CID 90730719
carbanide;prop-1-yne;prop-1-yne;bis(yttrium)
CID 160544515
acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
CID 165040725
ethane;formyl formate;methane;prop-1-yne
CID 161437315
but-1-yne;bis(but-2-yne);methane
CID 159335852

Frequently Asked Questions

What is the IUPAC name of methane;prop-1-yne?
The IUPAC name of methane;prop-1-yne (CID 157284750) is methane;prop-1-yne.
What is the SMILES notation for methane;prop-1-yne?
The canonical SMILES for methane;prop-1-yne is C.C.C.C.C.C#CC.
What is the InChIKey of methane;prop-1-yne?
The InChIKey is BACAOWCWTPQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.5CH4/c1-3-2;;;;;/h1H,2H3;5*1H4.
What are the key properties of methane;prop-1-yne?
methane;prop-1-yne has a molecular weight of 120.28 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-1-yne is sourced from PubChem (CID 157284750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).