(3R)-3-ethoxy-4,5-dihydroxypentanal

C7H14O4 — CID 88980061

IUPAC(3R)-3-ethoxy-4,5-dihydroxypentanal
SMILESCCO[C@H](CC=O)C(O)CO
InChIInChI=1S/C7H14O4/c1-2-11-7(3-4-8)6(10)5-9/h4,6-7,9-10H,2-3,5H2,1H3/t6?,7-/m1/s1
InChIKeySCBVORFRPKFGRV-COBSHVIPSA-N
MW162.18 g/mol
LogP-0.67
Rot. Bonds6

About (3R)-3-ethoxy-4,5-dihydroxypentanal

(3R)-3-ethoxy-4,5-dihydroxypentanal (PubChem CID 88980061) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3R)-3-ethoxy-4,5-dihydroxypentanal.

Molecular Properties

Compound Name(3R)-3-ethoxy-4,5-dihydroxypentanal
PubChem CID88980061
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3R)-3-ethoxy-4,5-dihydroxypentanal
SMILESCCO[C@H](CC=O)C(O)CO
InChIInChI=1S/C7H14O4/c1-2-11-7(3-4-8)6(10)5-9/h4,6-7,9-10H,2-3,5H2,1H3/t6?,7-/m1/s1
InChIKeySCBVORFRPKFGRV-COBSHVIPSA-N
XLogP-0.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-ethylpentanedial
CID 22151104
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
acetaldehyde;1,1-diethoxyethane;propane-1,2-diol
CID 87169922
(E,4R)-4-ethoxy-5,6-dihydroxyhex-2-enal
CID 88980070
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
[(1S,2S)-1-[(1R)-1,2-dihydroxyethyl]-4-oxo-2-phosphonooxybutyl] dihydrogen phosphate
CID 21124437
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
(3R)-8-amino-3-ethoxy-5-methyloctane-1,2,8-triol
CID 88979921
4-ethoxynonane-1,2,3-triol
CID 174961473
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
CID 57312737

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxy-4,5-dihydroxypentanal?
The IUPAC name of (3R)-3-ethoxy-4,5-dihydroxypentanal (CID 88980061) is (3R)-3-ethoxy-4,5-dihydroxypentanal.
What is the SMILES notation for (3R)-3-ethoxy-4,5-dihydroxypentanal?
The canonical SMILES for (3R)-3-ethoxy-4,5-dihydroxypentanal is CCO[C@H](CC=O)C(O)CO.
What is the InChIKey of (3R)-3-ethoxy-4,5-dihydroxypentanal?
The InChIKey is SCBVORFRPKFGRV-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-11-7(3-4-8)6(10)5-9/h4,6-7,9-10H,2-3,5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-ethoxy-4,5-dihydroxypentanal?
(3R)-3-ethoxy-4,5-dihydroxypentanal has a molecular weight of 162.18 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxy-4,5-dihydroxypentanal is sourced from PubChem (CID 88980061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).