3-pent-1-en-2-yloxypropane-1,2-diol

C8H16O3 — CID 87089728

IUPAC3-pent-1-en-2-yloxypropane-1,2-diol
SMILESC=C(CCC)OCC(O)CO
InChIInChI=1S/C8H16O3/c1-3-4-7(2)11-6-8(10)5-9/h8-10H,2-6H2,1H3
InChIKeyDAIZESLYBHBDDT-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.67
Rot. Bonds6

About 3-pent-1-en-2-yloxypropane-1,2-diol

3-pent-1-en-2-yloxypropane-1,2-diol (PubChem CID 87089728) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-pent-1-en-2-yloxypropane-1,2-diol.

Molecular Properties

Compound Name3-pent-1-en-2-yloxypropane-1,2-diol
PubChem CID87089728
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-pent-1-en-2-yloxypropane-1,2-diol
SMILESC=C(CCC)OCC(O)CO
InChIInChI=1S/C8H16O3/c1-3-4-7(2)11-6-8(10)5-9/h8-10H,2-6H2,1H3
InChIKeyDAIZESLYBHBDDT-UHFFFAOYSA-N
XLogP0.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.67
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

2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2-methylideneoctanoate
CID 88502846
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl decanoate;prop-1-ene
CID 155355395

Frequently Asked Questions

What is the IUPAC name of 3-pent-1-en-2-yloxypropane-1,2-diol?
The IUPAC name of 3-pent-1-en-2-yloxypropane-1,2-diol (CID 87089728) is 3-pent-1-en-2-yloxypropane-1,2-diol.
What is the SMILES notation for 3-pent-1-en-2-yloxypropane-1,2-diol?
The canonical SMILES for 3-pent-1-en-2-yloxypropane-1,2-diol is C=C(CCC)OCC(O)CO.
What is the InChIKey of 3-pent-1-en-2-yloxypropane-1,2-diol?
The InChIKey is DAIZESLYBHBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-7(2)11-6-8(10)5-9/h8-10H,2-6H2,1H3.
What are the key properties of 3-pent-1-en-2-yloxypropane-1,2-diol?
3-pent-1-en-2-yloxypropane-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-en-2-yloxypropane-1,2-diol is sourced from PubChem (CID 87089728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).