2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol

C8H14O3 — CID 155574161

IUPAC2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol
SMILESC=C(CO)OC(=C)C(O)CC
InChIInChI=1S/C8H14O3/c1-4-8(10)7(3)11-6(2)5-9/h8-10H,2-5H2,1H3
InChIKeyWYSMXWFJDKLGMU-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds5

About 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol

2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol (PubChem CID 155574161) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol
PubChem CID155574161
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol
SMILESC=C(CO)OC(=C)C(O)CC
InChIInChI=1S/C8H14O3/c1-4-8(10)7(3)11-6(2)5-9/h8-10H,2-5H2,1H3
InChIKeyWYSMXWFJDKLGMU-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
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

3-Methoxy-3-buten-2-ol
CID 85624637
4-Ethoxypent-1-en-3-ol
CID 88833041
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CID 130130298
2-(3-Hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
CID 18786251
3-(3-Hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene
CID 19378360
3-(3-Hydroxybut-1-en-2-yloxy)but-3-en-2-ol
CID 19378361
3-Hydroxy-2-methoxy-1-hexen-5-yne
CID 20152331
2-(3-Hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
CID 21258651
4-Methoxyhexa-4,5-dien-3-ol
CID 44719796
2-Methylideneoxolan-3-ol
CID 59525132
(1S)-1-(oxiren-2-yl)propan-1-ol
CID 70404951
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CID 70405728

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol?
The IUPAC name of 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol (CID 155574161) is 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol.
What is the SMILES notation for 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol?
The canonical SMILES for 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol is C=C(CO)OC(=C)C(O)CC.
What is the InChIKey of 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol?
The InChIKey is WYSMXWFJDKLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-8(10)7(3)11-6(2)5-9/h8-10H,2-5H2,1H3.
What are the key properties of 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol?
2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol is sourced from PubChem (CID 155574161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).