(E,4R)-6-bromohex-2-ene-1,4-diol

C6H11BrO2 — CID 119097892

IUPAC(E,4R)-6-bromohex-2-ene-1,4-diol
SMILESOC/C=C/[C@H](O)CCBr
InChIInChI=1S/C6H11BrO2/c7-4-3-6(9)2-1-5-8/h1-2,6,8-9H,3-5H2/b2-1+/t6-/m0/s1
InChIKeyQUFBRCPQOMYYSH-IPWVHJGXSA-N
MW195.06 g/mol
LogP0.68
Rot. Bonds4

About (E,4R)-6-bromohex-2-ene-1,4-diol

(E,4R)-6-bromohex-2-ene-1,4-diol (PubChem CID 119097892) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (E,4R)-6-bromohex-2-ene-1,4-diol.

Molecular Properties

Compound Name(E,4R)-6-bromohex-2-ene-1,4-diol
PubChem CID119097892
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(E,4R)-6-bromohex-2-ene-1,4-diol
SMILESOC/C=C/[C@H](O)CCBr
InChIInChI=1S/C6H11BrO2/c7-4-3-6(9)2-1-5-8/h1-2,6,8-9H,3-5H2/b2-1+/t6-/m0/s1
InChIKeyQUFBRCPQOMYYSH-IPWVHJGXSA-N
XLogP0.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
CID 131240966
(E)-4-methylpent-2-en-1-ol
CID 5362786
formyl 3,6-dihydroxyhex-4-enoate
CID 173098007
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
CID 23974829
1,3-dibromopropan-1-ol
CID 18177636
4-methylpent-2-ene-1,5-diol
CID 78100137
methylsulfonyl 3,6-dihydroxyhex-4-enoate
CID 123437651
4-bromo-2-(2-bromoethyl)butan-1-ol
CID 144850163
(2Z,4R,7E)-8-(4-hydroxynaphthalen-1-yl)-7-methylocta-2,7-diene-1,4-diol
CID 23946778

Frequently Asked Questions

What is the IUPAC name of (E,4R)-6-bromohex-2-ene-1,4-diol?
The IUPAC name of (E,4R)-6-bromohex-2-ene-1,4-diol (CID 119097892) is (E,4R)-6-bromohex-2-ene-1,4-diol.
What is the SMILES notation for (E,4R)-6-bromohex-2-ene-1,4-diol?
The canonical SMILES for (E,4R)-6-bromohex-2-ene-1,4-diol is OC/C=C/[C@H](O)CCBr.
What is the InChIKey of (E,4R)-6-bromohex-2-ene-1,4-diol?
The InChIKey is QUFBRCPQOMYYSH-IPWVHJGXSA-N. The full InChI is InChI=1S/C6H11BrO2/c7-4-3-6(9)2-1-5-8/h1-2,6,8-9H,3-5H2/b2-1+/t6-/m0/s1.
What are the key properties of (E,4R)-6-bromohex-2-ene-1,4-diol?
(E,4R)-6-bromohex-2-ene-1,4-diol has a molecular weight of 195.06 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-6-bromohex-2-ene-1,4-diol is sourced from PubChem (CID 119097892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).