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

C7H12Br2O3 — CID 88979999

IUPAC(3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol
SMILESCCO[C@H](C=C(Br)Br)C(O)CO
InChIInChI=1S/C7H12Br2O3/c1-2-12-6(3-7(8)9)5(11)4-10/h3,5-6,10-11H,2,4H2,1H3/t5?,6-/m1/s1
InChIKeyKVJUTBCVRBTWRP-PRJDIBJQSA-N
MW303.98 g/mol
LogP1.38
Rot. Bonds5

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

(3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol (PubChem CID 88979999) has the molecular formula C7H12Br2O3 and a molecular weight of 303.98 g/mol. Its IUPAC name is (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol.

Molecular Properties

Compound Name(3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol
PubChem CID88979999
Molecular FormulaC7H12Br2O3
Molecular Weight303.98 g/mol
Exact Mass301.92
IUPAC Name(3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol
SMILESCCO[C@H](C=C(Br)Br)C(O)CO
InChIInChI=1S/C7H12Br2O3/c1-2-12-6(3-7(8)9)5(11)4-10/h3,5-6,10-11H,2,4H2,1H3/t5?,6-/m1/s1
InChIKeyKVJUTBCVRBTWRP-PRJDIBJQSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol?
The IUPAC name of (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol (CID 88979999) is (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol.
What is the SMILES notation for (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol?
The canonical SMILES for (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol is CCO[C@H](C=C(Br)Br)C(O)CO.
What is the InChIKey of (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol?
The InChIKey is KVJUTBCVRBTWRP-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H12Br2O3/c1-2-12-6(3-7(8)9)5(11)4-10/h3,5-6,10-11H,2,4H2,1H3/t5?,6-/m1/s1.
What are the key properties of (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol?
(3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol has a molecular weight of 303.98 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-dibromo-3-ethoxypent-4-ene-1,2-diol is sourced from PubChem (CID 88979999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).