[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene

C17H24Br2O — CID 134859312

IUPAC[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
SMILESC[C@H](CCCCC=C(Br)Br)CCOCc1ccccc1
InChIInChI=1S/C17H24Br2O/c1-15(8-4-2-7-11-17(18)19)12-13-20-14-16-9-5-3-6-10-16/h3,5-6,9-11,15H,2,4,7-8,12-14H2,1H3/t15-/m1/s1
InChIKeyRHZWQYQNZVLGBT-OAHLLOKOSA-N
MW404.19 g/mol
LogP6.42
Rot. Bonds10

About [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene

[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene (PubChem CID 134859312) has the molecular formula C17H24Br2O and a molecular weight of 404.19 g/mol. Its IUPAC name is [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene.

Molecular Properties

Compound Name[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
PubChem CID134859312
Molecular FormulaC17H24Br2O
Molecular Weight404.19 g/mol
Exact Mass402.02
IUPAC Name[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene
SMILESC[C@H](CCCCC=C(Br)Br)CCOCc1ccccc1
InChIInChI=1S/C17H24Br2O/c1-15(8-4-2-7-11-17(18)19)12-13-20-14-16-9-5-3-6-10-16/h3,5-6,9-11,15H,2,4,7-8,12-14H2,1H3/t15-/m1/s1
InChIKeyRHZWQYQNZVLGBT-OAHLLOKOSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.19
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
2,6-dimethyl-8-phenylmethoxyoct-2-enal
CID 71442461
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
5,5-dibromo-2-(2-phenylmethoxyethyl)pent-4-enenitrile
CID 86224027
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
(2-methyl-4-phenylmethoxybutyl)-tri(propan-2-yl)silane
CID 175085284

Frequently Asked Questions

What is the IUPAC name of [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene?
The IUPAC name of [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene (CID 134859312) is [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene.
What is the SMILES notation for [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene?
The canonical SMILES for [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene is C[C@H](CCCCC=C(Br)Br)CCOCc1ccccc1.
What is the InChIKey of [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene?
The InChIKey is RHZWQYQNZVLGBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24Br2O/c1-15(8-4-2-7-11-17(18)19)12-13-20-14-16-9-5-3-6-10-16/h3,5-6,9-11,15H,2,4,7-8,12-14H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene?
[(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene has a molecular weight of 404.19 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-9,9-dibromo-3-methylnon-8-enoxy]methylbenzene is sourced from PubChem (CID 134859312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).