1-ethoxypent-1-ene-1,3-diol

C7H14O3 — CID 162291132

IUPAC1-ethoxypent-1-ene-1,3-diol
SMILESCCOC(O)=CC(O)CC
InChIInChI=1S/C7H14O3/c1-3-6(8)5-7(9)10-4-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyRQWSICCOPXEFSH-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.19
Rot. Bonds4

About 1-ethoxypent-1-ene-1,3-diol

1-ethoxypent-1-ene-1,3-diol (PubChem CID 162291132) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-ethoxypent-1-ene-1,3-diol.

Molecular Properties

Compound Name1-ethoxypent-1-ene-1,3-diol
PubChem CID162291132
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-ethoxypent-1-ene-1,3-diol
SMILESCCOC(O)=CC(O)CC
InChIInChI=1S/C7H14O3/c1-3-6(8)5-7(9)10-4-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyRQWSICCOPXEFSH-UHFFFAOYSA-N
XLogP1.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 4-hydroxyhex-2-enoate
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(Z)-4-ethoxy-4-hydroxybut-3-en-2-one;(E)-4-ethoxy-4-hydroxybut-3-en-2-one;bis(propan-2-ol);titanium
CID 137156391
(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol
CID 129074244
(2-ethoxy-2-hydroxyethenyl)-dimethylsulfanium
CID 76822814
(E,3R)-5-ethoxy-5-hydroxy-3-(trifluoromethyl)pent-4-enenitrile
CID 97136645
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
acetaldehyde;2-hydroxybutanal
CID 126485500
2-hydroxybutanal;silane;hydrate
CID 174946258
acetic acid;butan-2-ol;ethyl acetate
CID 174593363
(E)-4-ethoxy-1,1,1-trifluoro-4-hydroxybut-3-en-2-one;bis(propan-2-ol);zirconium
CID 21022158

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypent-1-ene-1,3-diol?
The IUPAC name of 1-ethoxypent-1-ene-1,3-diol (CID 162291132) is 1-ethoxypent-1-ene-1,3-diol.
What is the SMILES notation for 1-ethoxypent-1-ene-1,3-diol?
The canonical SMILES for 1-ethoxypent-1-ene-1,3-diol is CCOC(O)=CC(O)CC.
What is the InChIKey of 1-ethoxypent-1-ene-1,3-diol?
The InChIKey is RQWSICCOPXEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-6(8)5-7(9)10-4-2/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypent-1-ene-1,3-diol?
1-ethoxypent-1-ene-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypent-1-ene-1,3-diol is sourced from PubChem (CID 162291132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).