pent-1-yne chloride

C5H8Cl- — CID 131722670

IUPACpent-1-yne chloride
SMILESC#CCCC.[Cl-]
InChIInChI=1S/C5H8.ClH/c1-3-5-4-2;/h1H,4-5H2,2H3;1H/p-1
InChIKeySWHANMVHZZGAON-UHFFFAOYSA-M
MW103.57 g/mol
LogP-1.58
Rot. Bonds1

About pent-1-yne chloride

pent-1-yne chloride (PubChem CID 131722670) has the molecular formula C5H8Cl- and a molecular weight of 103.57 g/mol. Its IUPAC name is pent-1-yne chloride.

Molecular Properties

Compound Namepent-1-yne chloride
PubChem CID131722670
Molecular FormulaC5H8Cl-
Molecular Weight103.57 g/mol
Exact Mass103.03
IUPAC Namepent-1-yne chloride
SMILESC#CCCC.[Cl-]
InChIInChI=1S/C5H8.ClH/c1-3-5-4-2;/h1H,4-5H2,2H3;1H/p-1
InChIKeySWHANMVHZZGAON-UHFFFAOYSA-M
XLogP-1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.57
LogP ≤ 5-1.58
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 pent-1-yne chloride?
The IUPAC name of pent-1-yne chloride (CID 131722670) is pent-1-yne chloride.
What is the SMILES notation for pent-1-yne chloride?
The canonical SMILES for pent-1-yne chloride is C#CCCC.[Cl-].
What is the InChIKey of pent-1-yne chloride?
The InChIKey is SWHANMVHZZGAON-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8.ClH/c1-3-5-4-2;/h1H,4-5H2,2H3;1H/p-1.
What are the key properties of pent-1-yne chloride?
pent-1-yne chloride has a molecular weight of 103.57 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-yne chloride is sourced from PubChem (CID 131722670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).