(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol

C6H10Br2O — CID 88935877

IUPAC(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol
SMILESC[C@H](O)[C@H](C)C=C(Br)Br
InChIInChI=1S/C6H10Br2O/c1-4(5(2)9)3-6(7)8/h3-5,9H,1-2H3/t4-,5+/m1/s1
InChIKeyNUUWQTPVFGZYJP-UHNVWZDZSA-N
MW257.95 g/mol
LogP2.63
Rot. Bonds2

About (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol

(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol (PubChem CID 88935877) has the molecular formula C6H10Br2O and a molecular weight of 257.95 g/mol. Its IUPAC name is (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol
PubChem CID88935877
Molecular FormulaC6H10Br2O
Molecular Weight257.95 g/mol
Exact Mass255.91
IUPAC Name(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol
SMILESC[C@H](O)[C@H](C)C=C(Br)Br
InChIInChI=1S/C6H10Br2O/c1-4(5(2)9)3-6(7)8/h3-5,9H,1-2H3/t4-,5+/m1/s1
InChIKeyNUUWQTPVFGZYJP-UHNVWZDZSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.95
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
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(3S,4R,5R)-1,1-dibromohept-1-ene-3,4,5-triol
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3-methylhept-4-en-2-ol
CID 90779417
butane-2,3-diol;propan-2-ol
CID 88653918
gold;platinum;pentakis(propan-2-ol)
CID 171063749
1,1-dibromo-3-methylnon-1-ene
CID 135202124
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
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CID 57268258

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol?
The IUPAC name of (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol (CID 88935877) is (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol?
The canonical SMILES for (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol is C[C@H](O)[C@H](C)C=C(Br)Br.
What is the InChIKey of (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol?
The InChIKey is NUUWQTPVFGZYJP-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10Br2O/c1-4(5(2)9)3-6(7)8/h3-5,9H,1-2H3/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol?
(2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol has a molecular weight of 257.95 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5,5-dibromo-3-methylpent-4-en-2-ol is sourced from PubChem (CID 88935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).