hex-3-yne;hydrochloride

C6H11Cl — CID 141089574

IUPAChex-3-yne;hydrochloride
SMILESCCC#CCC.Cl
InChIInChI=1S/C6H10.ClH/c1-3-5-6-4-2;/h3-4H2,1-2H3;1H
InChIKeyUFTRXLMSRRBLNS-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.23
Rot. Bonds

About hex-3-yne;hydrochloride

hex-3-yne;hydrochloride (PubChem CID 141089574) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is hex-3-yne;hydrochloride.

Molecular Properties

Compound Namehex-3-yne;hydrochloride
PubChem CID141089574
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Namehex-3-yne;hydrochloride
SMILESCCC#CCC.Cl
InChIInChI=1S/C6H10.ClH/c1-3-5-6-4-2;/h3-4H2,1-2H3;1H
InChIKeyUFTRXLMSRRBLNS-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.23
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 hex-3-yne;hydrochloride?
The IUPAC name of hex-3-yne;hydrochloride (CID 141089574) is hex-3-yne;hydrochloride.
What is the SMILES notation for hex-3-yne;hydrochloride?
The canonical SMILES for hex-3-yne;hydrochloride is CCC#CCC.Cl.
What is the InChIKey of hex-3-yne;hydrochloride?
The InChIKey is UFTRXLMSRRBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.ClH/c1-3-5-6-4-2;/h3-4H2,1-2H3;1H.
What are the key properties of hex-3-yne;hydrochloride?
hex-3-yne;hydrochloride has a molecular weight of 118.61 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-yne;hydrochloride is sourced from PubChem (CID 141089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).