(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol

C10H16Br2O2 — CID 162928061

IUPAC(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol
SMILESCC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@H]1Br
InChIInChI=1S/C10H16Br2O2/c1-9(2)7(12)6-8(14-9)10(3,13)4-5-11/h4-5,7-8,13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1
InChIKeyUIVSTSHQZIFSSM-WFWWRNNBSA-N
MW328.04 g/mol
LogP2.98
Rot. Bonds2

About (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol

(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol (PubChem CID 162928061) has the molecular formula C10H16Br2O2 and a molecular weight of 328.04 g/mol. Its IUPAC name is (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol
PubChem CID162928061
Molecular FormulaC10H16Br2O2
Molecular Weight328.04 g/mol
Exact Mass325.95
IUPAC Name(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol
SMILESCC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@H]1Br
InChIInChI=1S/C10H16Br2O2/c1-9(2)7(12)6-8(14-9)10(3,13)4-5-11/h4-5,7-8,13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1
InChIKeyUIVSTSHQZIFSSM-WFWWRNNBSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol?
The IUPAC name of (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol (CID 162928061) is (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol.
What is the SMILES notation for (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol?
The canonical SMILES for (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol is CC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@H]1Br.
What is the InChIKey of (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol?
The InChIKey is UIVSTSHQZIFSSM-WFWWRNNBSA-N. The full InChI is InChI=1S/C10H16Br2O2/c1-9(2)7(12)6-8(14-9)10(3,13)4-5-11/h4-5,7-8,13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1.
What are the key properties of (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol?
(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol has a molecular weight of 328.04 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol is sourced from PubChem (CID 162928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).