3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal

C11H20O5 — CID 175306562

IUPAC3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
SMILESC=CCOCC=C.O=CCC(O)C(O)CO
InChIInChI=1S/C6H10O.C5H10O4/c1-3-5-7-6-4-2;6-2-1-4(8)5(9)3-7/h3-4H,1-2,5-6H2;2,4-5,7-9H,1,3H2
InChIKeyVIDCLYWJCASTAI-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.34
Rot. Bonds8

About 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal

3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal (PubChem CID 175306562) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
PubChem CID175306562
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
SMILESC=CCOCC=C.O=CCC(O)C(O)CO
InChIInChI=1S/C6H10O.C5H10O4/c1-3-5-7-6-4-2;6-2-1-4(8)5(9)3-7/h3-4H,1-2,5-6H2;2,4-5,7-9H,1,3H2
InChIKeyVIDCLYWJCASTAI-UHFFFAOYSA-N
XLogP-0.34
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
(3S,4S)-3,4,5-trihydroxy-1-prop-2-enoxypentan-2-one
CID 54142770
3,4,5,6-tetrahydroxy-1-prop-2-enoxyhexan-2-one
CID 13054444
(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
CID 87506551
3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
3-prop-2-enoxypentane-1,2,4,5-tetrol
CID 142590945
hexanedioic acid;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 87114607

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal?
The IUPAC name of 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal (CID 175306562) is 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal?
The canonical SMILES for 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal is C=CCOCC=C.O=CCC(O)C(O)CO.
What is the InChIKey of 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal?
The InChIKey is VIDCLYWJCASTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H10O4/c1-3-5-7-6-4-2;6-2-1-4(8)5(9)3-7/h3-4H,1-2,5-6H2;2,4-5,7-9H,1,3H2.
What are the key properties of 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal?
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal has a molecular weight of 232.28 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal is sourced from PubChem (CID 175306562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).