methane;molecular hydrogen;prop-1-yne;hydrochloride

C4H11Cl — CID 157176014

IUPACmethane;molecular hydrogen;prop-1-yne;hydrochloride
SMILESC.C#CC.Cl.[H][H]
InChIInChI=1S/C3H4.CH4.ClH.H2/c1-3-2;;;/h1H,2H3;1H4;2*1H
InChIKeyJKSKJCSYHCYAKY-UHFFFAOYSA-N
MW94.58 g/mol
LogP1.94
Rot. Bonds

About methane;molecular hydrogen;prop-1-yne;hydrochloride

methane;molecular hydrogen;prop-1-yne;hydrochloride (PubChem CID 157176014) has the molecular formula C4H11Cl and a molecular weight of 94.58 g/mol. Its IUPAC name is methane;molecular hydrogen;prop-1-yne;hydrochloride.

Molecular Properties

Compound Namemethane;molecular hydrogen;prop-1-yne;hydrochloride
PubChem CID157176014
Molecular FormulaC4H11Cl
Molecular Weight94.58 g/mol
Exact Mass94.05
IUPAC Namemethane;molecular hydrogen;prop-1-yne;hydrochloride
SMILESC.C#CC.Cl.[H][H]
InChIInChI=1S/C3H4.CH4.ClH.H2/c1-3-2;;;/h1H,2H3;1H4;2*1H
InChIKeyJKSKJCSYHCYAKY-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.58
LogP ≤ 51.94
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

1-Pentyne
CID 12309
1,5-Heptadiyne
CID 561096
Heptadiyne
CID 11423559
1,4-Heptadiyne
CID 11263471
Methylacetylene propane
CID 22274894
Trimethyl(prop-2-ynyl)stannane
CID 85818854
Chloro-dimethyl-prop-2-ynylgermane
CID 85875569
1,3-Butadiyn-1-yltrimethylstannane
CID 85965346
Trimethyl(prop-2-yn-1-yl)germane
CID 15697490
Acetylene;but-1-yne
CID 17870746
1-Tritiopent-1-yne
CID 59073152
Carbanide;prop-1-yne;tungsten
CID 59806098

Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;prop-1-yne;hydrochloride?
The IUPAC name of methane;molecular hydrogen;prop-1-yne;hydrochloride (CID 157176014) is methane;molecular hydrogen;prop-1-yne;hydrochloride.
What is the SMILES notation for methane;molecular hydrogen;prop-1-yne;hydrochloride?
The canonical SMILES for methane;molecular hydrogen;prop-1-yne;hydrochloride is C.C#CC.Cl.[H][H].
What is the InChIKey of methane;molecular hydrogen;prop-1-yne;hydrochloride?
The InChIKey is JKSKJCSYHCYAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.CH4.ClH.H2/c1-3-2;;;/h1H,2H3;1H4;2*1H.
What are the key properties of methane;molecular hydrogen;prop-1-yne;hydrochloride?
methane;molecular hydrogen;prop-1-yne;hydrochloride has a molecular weight of 94.58 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;prop-1-yne;hydrochloride is sourced from PubChem (CID 157176014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).