(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol

C11H19BrO — CID 59970319

IUPAC(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol
SMILESCC/C=C(\C)CC(O)/C=C(\C)CBr
InChIInChI=1S/C11H19BrO/c1-4-5-9(2)6-11(13)7-10(3)8-12/h5,7,11,13H,4,6,8H2,1-3H3/b9-5+,10-7+
InChIKeyXDBMDYRQXQKTFQ-FWMCCXIMSA-N
MW247.18 g/mol
LogP3.43
Rot. Bonds5

About (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol

(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol (PubChem CID 59970319) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol
PubChem CID59970319
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol
SMILESCC/C=C(\C)CC(O)/C=C(\C)CBr
InChIInChI=1S/C11H19BrO/c1-4-5-9(2)6-11(13)7-10(3)8-12/h5,7,11,13H,4,6,8H2,1-3H3/b9-5+,10-7+
InChIKeyXDBMDYRQXQKTFQ-FWMCCXIMSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.43
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

actinium;(2E,6E)-8-bromo-3,7-dimethylocta-2,6-diene-1,5-diol
CID 59931094
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
2,3,5-trimethylocta-1,5-diene
CID 123730712
2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
4,9-dimethyldec-3-ene
CID 91170380
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
4-methyloct-3-ene
CID 85445337
[(2E,6E)-5-acetyloxy-8-bromo-3,7-dimethylocta-2,6-dienyl] acetate
CID 11427577
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
1,4-dibromo-2,6-dimethylhept-2-ene
CID 54067675

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol?
The IUPAC name of (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol (CID 59970319) is (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol.
What is the SMILES notation for (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol?
The canonical SMILES for (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol is CC/C=C(\C)CC(O)/C=C(\C)CBr.
What is the InChIKey of (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol?
The InChIKey is XDBMDYRQXQKTFQ-FWMCCXIMSA-N. The full InChI is InChI=1S/C11H19BrO/c1-4-5-9(2)6-11(13)7-10(3)8-12/h5,7,11,13H,4,6,8H2,1-3H3/b9-5+,10-7+.
What are the key properties of (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol?
(2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol has a molecular weight of 247.18 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-bromo-2,6-dimethylnona-2,6-dien-4-ol is sourced from PubChem (CID 59970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).