1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene

C18H27BrO2 — CID 11279700

IUPAC1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COCCCCC[C@@H](C)/C=C(\C)Br)cc1
InChIInChI=1S/C18H27BrO2/c1-15(13-16(2)19)7-5-4-6-12-21-14-17-8-10-18(20-3)11-9-17/h8-11,13,15H,4-7,12,14H2,1-3H3/b16-13+/t15-/m1/s1
InChIKeyGMKFUNADYQZCHL-WTNDLDAUSA-N
MW355.32 g/mol
LogP5.71
Rot. Bonds10

About 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene

1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene (PubChem CID 11279700) has the molecular formula C18H27BrO2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene
PubChem CID11279700
Molecular FormulaC18H27BrO2
Molecular Weight355.32 g/mol
Exact Mass354.12
IUPAC Name1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COCCCCC[C@@H](C)/C=C(\C)Br)cc1
InChIInChI=1S/C18H27BrO2/c1-15(13-16(2)19)7-5-4-6-12-21-14-17-8-10-18(20-3)11-9-17/h8-11,13,15H,4-7,12,14H2,1-3H3/b16-13+/t15-/m1/s1
InChIKeyGMKFUNADYQZCHL-WTNDLDAUSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene with MolForge

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Related Compounds

1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
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CID 10970441
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162

Frequently Asked Questions

What is the IUPAC name of 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene (CID 11279700) is 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene is COc1ccc(COCCCCC[C@@H](C)/C=C(\C)Br)cc1.
What is the InChIKey of 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene?
The InChIKey is GMKFUNADYQZCHL-WTNDLDAUSA-N. The full InChI is InChI=1S/C18H27BrO2/c1-15(13-16(2)19)7-5-4-6-12-21-14-17-8-10-18(20-3)11-9-17/h8-11,13,15H,4-7,12,14H2,1-3H3/b16-13+/t15-/m1/s1.
What are the key properties of 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene?
1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene has a molecular weight of 355.32 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 11279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).