pent-1-ene-2,3-diol

C5H10O2 — CID 87754031

IUPACpent-1-ene-2,3-diol
SMILESC=C(O)C(O)CC
InChIInChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5-7H,2-3H2,1H3
InChIKeyAMGUEVCBLPQRMO-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.83
Rot. Bonds2

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

pent-1-ene-2,3-diol (PubChem CID 87754031) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is pent-1-ene-2,3-diol.

Molecular Properties

Compound Namepent-1-ene-2,3-diol
PubChem CID87754031
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Namepent-1-ene-2,3-diol
SMILESC=C(O)C(O)CC
InChIInChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5-7H,2-3H2,1H3
InChIKeyAMGUEVCBLPQRMO-UHFFFAOYSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

hex-1-ene-2,3-diol
CID 87891998
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
2-hydroxybutanoic acid;2-sulfanylprop-2-enoic acid
CID 159105780
2-(fluoromethyl)pent-1-en-3-ol
CID 123568157
(3R)-3-methylpent-1-en-2-ol
CID 89203555
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
hept-1-ene-2,5-diol
CID 140988002
3-hydroxy-2-methylidenepentaneperoxoic acid
CID 175223388
(5Z)-4-methylideneocta-5,7-dien-3-ol
CID 143759474
methyl 3-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoic acid
CID 174807958
5-methylideneheptane-2,4-diol
CID 140987994
(2R)-2-hydroxybutanethioic S-acid
CID 87799319

Frequently Asked Questions

What is the IUPAC name of pent-1-ene-2,3-diol?
The IUPAC name of pent-1-ene-2,3-diol (CID 87754031) is pent-1-ene-2,3-diol.
What is the SMILES notation for pent-1-ene-2,3-diol?
The canonical SMILES for pent-1-ene-2,3-diol is C=C(O)C(O)CC.
What is the InChIKey of pent-1-ene-2,3-diol?
The InChIKey is AMGUEVCBLPQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5-7H,2-3H2,1H3.
What are the key properties of pent-1-ene-2,3-diol?
pent-1-ene-2,3-diol has a molecular weight of 102.13 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene-2,3-diol is sourced from PubChem (CID 87754031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).