3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol

C8H14O3 — CID 87258459

IUPAC3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)COCCO
InChIInChI=1S/C8H14O3/c1-3-8(10,4-2)7-11-6-5-9/h3-4,9-10H,1-2,5-7H2
InChIKeyNHAYUCLXIYDXLO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.10
Rot. Bonds6

About 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol

3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol (PubChem CID 87258459) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol
PubChem CID87258459
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)COCCO
InChIInChI=1S/C8H14O3/c1-3-8(10,4-2)7-11-6-5-9/h3-4,9-10H,1-2,5-7H2
InChIKeyNHAYUCLXIYDXLO-UHFFFAOYSA-N
XLogP0.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol?
The IUPAC name of 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol (CID 87258459) is 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol.
What is the SMILES notation for 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol?
The canonical SMILES for 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol is C=CC(O)(C=C)COCCO.
What is the InChIKey of 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol?
The InChIKey is NHAYUCLXIYDXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(10,4-2)7-11-6-5-9/h3-4,9-10H,1-2,5-7H2.
What are the key properties of 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol?
3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxymethyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 87258459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).