(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol

C7H13BrO3 — CID 173475988

IUPAC(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol
SMILESCCO[C@H](C=CBr)C(O)CO
InChIInChI=1S/C7H13BrO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/t6?,7-/m1/s1
InChIKeyOHERUHDNYXSZLY-COBSHVIPSA-N
MW225.08 g/mol
LogP0.65
Rot. Bonds5

About (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol

(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol (PubChem CID 173475988) has the molecular formula C7H13BrO3 and a molecular weight of 225.08 g/mol. Its IUPAC name is (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol.

Molecular Properties

Compound Name(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol
PubChem CID173475988
Molecular FormulaC7H13BrO3
Molecular Weight225.08 g/mol
Exact Mass224.00
IUPAC Name(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol
SMILESCCO[C@H](C=CBr)C(O)CO
InChIInChI=1S/C7H13BrO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/t6?,7-/m1/s1
InChIKeyOHERUHDNYXSZLY-COBSHVIPSA-N
XLogP0.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(E,4R)-4-ethoxy-5,6-dihydroxyhex-2-enal
CID 88980070
(4R)-4-ethoxy-5,6-dihydroxyhex-2-enenitrile
CID 173475986
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
3-(1,2-dihydroxytetradec-4-en-3-yloxy)tetradec-4-ene-1,2-diol
CID 87991332
(3R)-3-ethoxy-4,5-dihydroxypentanal
CID 88980061
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
3-(1,2-dihydroxyundeca-4,6-dien-3-yloxy)undeca-4,6-diene-1,2-diol
CID 88501623
(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
CID 154036897
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol?
The IUPAC name of (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol (CID 173475988) is (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol.
What is the SMILES notation for (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol?
The canonical SMILES for (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol is CCO[C@H](C=CBr)C(O)CO.
What is the InChIKey of (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol?
The InChIKey is OHERUHDNYXSZLY-COBSHVIPSA-N. The full InChI is InChI=1S/C7H13BrO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/t6?,7-/m1/s1.
What are the key properties of (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol?
(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol has a molecular weight of 225.08 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol is sourced from PubChem (CID 173475988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).