pent-3-ene-1,2-diol;hydrochloride

C5H11ClO2 — CID 141276135

IUPACpent-3-ene-1,2-diol;hydrochloride
SMILESCC=CC(O)CO.Cl
InChIInChI=1S/C5H10O2.ClH/c1-2-3-5(7)4-6;/h2-3,5-7H,4H2,1H3;1H
InChIKeyYBYDCEDLAICULJ-UHFFFAOYSA-N
MW138.59 g/mol
LogP0.34
Rot. Bonds2

About pent-3-ene-1,2-diol;hydrochloride

pent-3-ene-1,2-diol;hydrochloride (PubChem CID 141276135) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is pent-3-ene-1,2-diol;hydrochloride.

Molecular Properties

Compound Namepent-3-ene-1,2-diol;hydrochloride
PubChem CID141276135
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Namepent-3-ene-1,2-diol;hydrochloride
SMILESCC=CC(O)CO.Cl
InChIInChI=1S/C5H10O2.ClH/c1-2-3-5(7)4-6;/h2-3,5-7H,4H2,1H3;1H
InChIKeyYBYDCEDLAICULJ-UHFFFAOYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-hex-4-en-3-ol
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(E,2S)-2-aminopent-3-en-1-ol;hydrochloride
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1,4-dihydroxyhept-5-en-2-one
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(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(2S)-3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 131247473
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064
(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
(3R)-3-hydroxyhex-4-enoic acid
CID 54147030
(E)-5-methylhex-3-ene-1,2,5-triol
CID 130145462
(E,2S)-2-aminopent-3-en-1-ol
CID 55283755

Frequently Asked Questions

What is the IUPAC name of pent-3-ene-1,2-diol;hydrochloride?
The IUPAC name of pent-3-ene-1,2-diol;hydrochloride (CID 141276135) is pent-3-ene-1,2-diol;hydrochloride.
What is the SMILES notation for pent-3-ene-1,2-diol;hydrochloride?
The canonical SMILES for pent-3-ene-1,2-diol;hydrochloride is CC=CC(O)CO.Cl.
What is the InChIKey of pent-3-ene-1,2-diol;hydrochloride?
The InChIKey is YBYDCEDLAICULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.ClH/c1-2-3-5(7)4-6;/h2-3,5-7H,4H2,1H3;1H.
What are the key properties of pent-3-ene-1,2-diol;hydrochloride?
pent-3-ene-1,2-diol;hydrochloride has a molecular weight of 138.59 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-ene-1,2-diol;hydrochloride is sourced from PubChem (CID 141276135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).