3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol

C8H16O4 — CID 57043047

IUPAC3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol
SMILESC=CC(OCC(O)CO)C(C)O
InChIInChI=1S/C8H16O4/c1-3-8(6(2)10)12-5-7(11)4-9/h3,6-11H,1,4-5H2,2H3
InChIKeyXDVSNSWBYDKGPO-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.71
Rot. Bonds6

About 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol

3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol (PubChem CID 57043047) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol
PubChem CID57043047
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol
SMILESC=CC(OCC(O)CO)C(C)O
InChIInChI=1S/C8H16O4/c1-3-8(6(2)10)12-5-7(11)4-9/h3,6-11H,1,4-5H2,2H3
InChIKeyXDVSNSWBYDKGPO-UHFFFAOYSA-N
XLogP-0.71
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-allyloxy-3-isopropoxy-
CID 112464
1-Propanol, 2,3-bis(2-propenyloxy)-
CID 110921
2-Methoxy-3-buten-1-OL
CID 2735078
1-[1-Methyl-2-[1-methyl-2-(2-propen-1-yloxy)ethoxy]ethoxy]-2-propanol
CID 22253225
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
2-Propanol, 1-(2-hydroxyethoxy)-3-(2-propen-1-yloxy)-
CID 118025
2,2'-Oxybis-3-buten-1-OL
CID 55097
(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
CID 88980133
(3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
CID 173475976
2-Propanol, 1-ethoxy-3-(2-propenyloxy)-
CID 10953806

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol?
The IUPAC name of 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol (CID 57043047) is 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol is C=CC(OCC(O)CO)C(C)O.
What is the InChIKey of 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol?
The InChIKey is XDVSNSWBYDKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-8(6(2)10)12-5-7(11)4-9/h3,6-11H,1,4-5H2,2H3.
What are the key properties of 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol?
3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol has a molecular weight of 176.21 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypent-1-en-3-yloxy)propane-1,2-diol is sourced from PubChem (CID 57043047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).