pent-4-ene-1,2-diol

C5H10O2 — CID 10942356

IUPACpent-4-ene-1,2-diol
SMILESC=CCC(O)CO
InChIInChI=1S/C5H10O2/c1-2-3-5(7)4-6/h2,5-7H,1,3-4H2
InChIKeyKCPNPXFJBCFNRU-UHFFFAOYSA-N
MW102.13 g/mol
LogP-0.08
Rot. Bonds3

About pent-4-ene-1,2-diol

pent-4-ene-1,2-diol (PubChem CID 10942356) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is pent-4-ene-1,2-diol.

Molecular Properties

Compound Namepent-4-ene-1,2-diol
PubChem CID10942356
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Namepent-4-ene-1,2-diol
SMILESC=CCC(O)CO
InChIInChI=1S/C5H10O2/c1-2-3-5(7)4-6/h2,5-7H,1,3-4H2
InChIKeyKCPNPXFJBCFNRU-UHFFFAOYSA-N
XLogP-0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-ene-1,2-diol?
The IUPAC name of pent-4-ene-1,2-diol (CID 10942356) is pent-4-ene-1,2-diol.
What is the SMILES notation for pent-4-ene-1,2-diol?
The canonical SMILES for pent-4-ene-1,2-diol is C=CCC(O)CO.
What is the InChIKey of pent-4-ene-1,2-diol?
The InChIKey is KCPNPXFJBCFNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h2,5-7H,1,3-4H2.
What are the key properties of pent-4-ene-1,2-diol?
pent-4-ene-1,2-diol has a molecular weight of 102.13 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1,2-diol is sourced from PubChem (CID 10942356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).