(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol

C10H17BrO3 — CID 10801620

IUPAC(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@@](C)(/C=C/Br)O1
InChIInChI=1S/C10H17BrO3/c1-9(2,13)8-6-7(12)10(3,14-8)4-5-11/h4-5,7-8,12-13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1
InChIKeyOPSVNFHESYGGIF-WFWWRNNBSA-N
MW265.15 g/mol
LogP1.57
Rot. Bonds2

About (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol

(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol (PubChem CID 10801620) has the molecular formula C10H17BrO3 and a molecular weight of 265.15 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol
PubChem CID10801620
Molecular FormulaC10H17BrO3
Molecular Weight265.15 g/mol
Exact Mass264.04
IUPAC Name(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@@](C)(/C=C/Br)O1
InChIInChI=1S/C10H17BrO3/c1-9(2,13)8-6-7(12)10(3,14-8)4-5-11/h4-5,7-8,12-13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1
InChIKeyOPSVNFHESYGGIF-WFWWRNNBSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol (CID 10801620) is (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol is CC(C)(O)[C@@H]1C[C@@H](O)[C@@](C)(/C=C/Br)O1.
What is the InChIKey of (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol?
The InChIKey is OPSVNFHESYGGIF-WFWWRNNBSA-N. The full InChI is InChI=1S/C10H17BrO3/c1-9(2,13)8-6-7(12)10(3,14-8)4-5-11/h4-5,7-8,12-13H,6H2,1-3H3/b5-4+/t7-,8+,10-/m1/s1.
What are the key properties of (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol?
(2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol has a molecular weight of 265.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[(E)-2-bromoethenyl]-5-(2-hydroxypropan-2-yl)-2-methyloxolan-3-ol is sourced from PubChem (CID 10801620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).