actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol

C10H17Ac2BrO2 — CID 59931094

IUPACactinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
SMILESC/C(=C\C(O)C/C(C)=C/CO)CBr.[Ac].[Ac]
InChIInChI=1S/C10H17BrO2.2Ac/c1-8(3-4-12)5-10(13)6-9(2)7-11;;/h3,6,10,12-13H,4-5,7H2,1-2H3;;/b8-3+,9-6+;;
InChIKeyOPTDOQLMTGCAOE-UKNZWUACSA-N
MW703.15 g/mol
LogP2.02
Rot. Bonds5

About actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol

actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol (PubChem CID 59931094) has the molecular formula C10H17Ac2BrO2 and a molecular weight of 703.15 g/mol. Its IUPAC name is actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol.

Molecular Properties

Compound Nameactinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
PubChem CID59931094
Molecular FormulaC10H17Ac2BrO2
Molecular Weight703.15 g/mol
Exact Mass702.10
IUPAC Nameactinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
SMILESC/C(=C\C(O)C/C(C)=C/CO)CBr.[Ac].[Ac]
InChIInChI=1S/C10H17BrO2.2Ac/c1-8(3-4-12)5-10(13)6-9(2)7-11;;/h3,6,10,12-13H,4-5,7H2,1-2H3;;/b8-3+,9-6+;;
InChIKeyOPTDOQLMTGCAOE-UKNZWUACSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.15
LogP ≤ 52.02
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

(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol
CID 59970319
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(E)-3,5-dimethylhex-2-en-1-ol
CID 13415310
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
(2E,5E,7S,10E,13R)-3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
CID 162956168
9-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-diene-1,5-diol
CID 162864992
(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
CID 14706914
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
5-amino-3-methylpent-2-en-1-ol
CID 167443308

Frequently Asked Questions

What is the IUPAC name of actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol?
The IUPAC name of actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol (CID 59931094) is actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol.
What is the SMILES notation for actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol?
The canonical SMILES for actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol is C/C(=C\C(O)C/C(C)=C/CO)CBr.[Ac].[Ac].
What is the InChIKey of actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol?
The InChIKey is OPTDOQLMTGCAOE-UKNZWUACSA-N. The full InChI is InChI=1S/C10H17BrO2.2Ac/c1-8(3-4-12)5-10(13)6-9(2)7-11;;/h3,6,10,12-13H,4-5,7H2,1-2H3;;/b8-3+,9-6+;;.
What are the key properties of actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol?
actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol has a molecular weight of 703.15 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol is sourced from PubChem (CID 59931094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).