magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide

C9H16BrMgO+ — CID 22465804

IUPACmagnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide
SMILESC/C=C(\C)C(O)/C(C)=C/C.[Br-].[Mg+2]
InChIInChI=1S/C9H16O.BrH.Mg/c1-5-7(3)9(10)8(4)6-2;;/h5-6,9-10H,1-4H3;1H;/q;;+2/p-1/b7-5+,8-6+;;
InChIKeyWWGWQXZJUYKWHF-ZHINHYBUSA-M
MW244.44 g/mol
LogP-1.10
Rot. Bonds2

About magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide

magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide (PubChem CID 22465804) has the molecular formula C9H16BrMgO+ and a molecular weight of 244.44 g/mol. Its IUPAC name is magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide.

Molecular Properties

Compound Namemagnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide
PubChem CID22465804
Molecular FormulaC9H16BrMgO+
Molecular Weight244.44 g/mol
Exact Mass243.02
IUPAC Namemagnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide
SMILESC/C=C(\C)C(O)/C(C)=C/C.[Br-].[Mg+2]
InChIInChI=1S/C9H16O.BrH.Mg/c1-5-7(3)9(10)8(4)6-2;;/h5-6,9-10H,1-4H3;1H;/q;;+2/p-1/b7-5+,8-6+;;
InChIKeyWWGWQXZJUYKWHF-ZHINHYBUSA-M
XLogP-1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-methylpent-3-en-2-ol
CID 123714534
3-methylhepta-2,5-dien-4-ol
CID 130124822
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
2-hydroxy-3-methylpent-3-enenitrile
CID 71346019
2,5-dimethylhepta-1,5-diene-3,4-diol
CID 559107
4-methylhex-4-en-1-yn-3-ol
CID 54537632
(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
CID 135000910
4-chloro-3-methylpent-2-ene
CID 85440898
1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol
CID 167275832
3-methyl-1-(methylamino)pent-3-en-2-ol
CID 90906216
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
3,4,5,6-tetramethylocta-1,6-diene
CID 54426147

Frequently Asked Questions

What is the IUPAC name of magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide?
The IUPAC name of magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide (CID 22465804) is magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide.
What is the SMILES notation for magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide?
The canonical SMILES for magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide is C/C=C(\C)C(O)/C(C)=C/C.[Br-].[Mg+2].
What is the InChIKey of magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide?
The InChIKey is WWGWQXZJUYKWHF-ZHINHYBUSA-M. The full InChI is InChI=1S/C9H16O.BrH.Mg/c1-5-7(3)9(10)8(4)6-2;;/h5-6,9-10H,1-4H3;1H;/q;;+2/p-1/b7-5+,8-6+;;.
What are the key properties of magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide?
magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide has a molecular weight of 244.44 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2E,5E)-3,5-dimethylhepta-2,5-dien-4-ol;bromide is sourced from PubChem (CID 22465804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).