1,2-dibromo-2,5-dimethylhex-5-en-3-ol

C8H14Br2O — CID 18921014

IUPAC1,2-dibromo-2,5-dimethylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(Br)CBr
InChIInChI=1S/C8H14Br2O/c1-6(2)4-7(11)8(3,10)5-9/h7,11H,1,4-5H2,2-3H3
InChIKeyGRZQRRCFOMRCJZ-UHFFFAOYSA-N
MW286.01 g/mol
LogP2.86
Rot. Bonds4

About 1,2-dibromo-2,5-dimethylhex-5-en-3-ol

1,2-dibromo-2,5-dimethylhex-5-en-3-ol (PubChem CID 18921014) has the molecular formula C8H14Br2O and a molecular weight of 286.01 g/mol. Its IUPAC name is 1,2-dibromo-2,5-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name1,2-dibromo-2,5-dimethylhex-5-en-3-ol
PubChem CID18921014
Molecular FormulaC8H14Br2O
Molecular Weight286.01 g/mol
Exact Mass283.94
IUPAC Name1,2-dibromo-2,5-dimethylhex-5-en-3-ol
SMILESC=C(C)CC(O)C(C)(Br)CBr
InChIInChI=1S/C8H14Br2O/c1-6(2)4-7(11)8(3,10)5-9/h7,11H,1,4-5H2,2-3H3
InChIKeyGRZQRRCFOMRCJZ-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.01
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-chloro-2,5-dimethylhex-5-en-3-ol
CID 18920966
1,1,1-trifluoro-4-methylpent-4-en-2-ol
CID 79177366
acetic acid;(2R)-1,1,1-trichloro-4-methylpent-4-en-2-ol
CID 71354312
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
1,2-dibromo-2,3-dimethylbutane
CID 15737638
2,4-dimethylpent-1-ene;ethane
CID 143336990
5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
CID 79179346
(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
2,6,6-trimethyl-4-prop-1-en-2-ylhept-1-ene
CID 90710749
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
2-bromo-2-(bromomethyl)-3-hydroxy-4,4-dimethylpentanenitrile
CID 14823927
6-methylhept-6-ene-2,4-diol
CID 57030596

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-2,5-dimethylhex-5-en-3-ol?
The IUPAC name of 1,2-dibromo-2,5-dimethylhex-5-en-3-ol (CID 18921014) is 1,2-dibromo-2,5-dimethylhex-5-en-3-ol.
What is the SMILES notation for 1,2-dibromo-2,5-dimethylhex-5-en-3-ol?
The canonical SMILES for 1,2-dibromo-2,5-dimethylhex-5-en-3-ol is C=C(C)CC(O)C(C)(Br)CBr.
What is the InChIKey of 1,2-dibromo-2,5-dimethylhex-5-en-3-ol?
The InChIKey is GRZQRRCFOMRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2O/c1-6(2)4-7(11)8(3,10)5-9/h7,11H,1,4-5H2,2-3H3.
What are the key properties of 1,2-dibromo-2,5-dimethylhex-5-en-3-ol?
1,2-dibromo-2,5-dimethylhex-5-en-3-ol has a molecular weight of 286.01 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-2,5-dimethylhex-5-en-3-ol is sourced from PubChem (CID 18921014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).