(1-bromo-6-methylhept-6-enyl)benzene

C14H19Br — CID 114477375

IUPAC(1-bromo-6-methylhept-6-enyl)benzene
SMILESC=C(C)CCCCC(Br)c1ccccc1
InChIInChI=1S/C14H19Br/c1-12(2)8-6-7-11-14(15)13-9-4-3-5-10-13/h3-5,9-10,14H,1,6-8,11H2,2H3
InChIKeyQNRNTHDTDRLPLT-UHFFFAOYSA-N
MW267.21 g/mol
LogP5.26
Rot. Bonds6

About (1-bromo-6-methylhept-6-enyl)benzene

(1-bromo-6-methylhept-6-enyl)benzene (PubChem CID 114477375) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is (1-bromo-6-methylhept-6-enyl)benzene.

Molecular Properties

Compound Name(1-bromo-6-methylhept-6-enyl)benzene
PubChem CID114477375
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name(1-bromo-6-methylhept-6-enyl)benzene
SMILESC=C(C)CCCCC(Br)c1ccccc1
InChIInChI=1S/C14H19Br/c1-12(2)8-6-7-11-14(15)13-9-4-3-5-10-13/h3-5,9-10,14H,1,6-8,11H2,2H3
InChIKeyQNRNTHDTDRLPLT-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.21
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(5-methylhex-5-enoxy)methylbenzene
CID 134837697
5-bromo-5-phenylpentan-2-one
CID 70081529
5-bromo-5-phenylpentanoic acid
CID 174858341
12-methyltridec-12-enyl(triphenyl)phosphanium
CID 172616044
(1-bromo-6-methoxyhexyl)benzene
CID 64508790
1-bromohex-5-enylbenzene
CID 13296849
1-bromohept-6-ynylbenzene
CID 64506326
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
4-methyl-2-(5-methyl-1-phenylhex-5-enyl)aniline
CID 142273388
(1-bromo-4-tert-butylsulfonylbutyl)benzene
CID 106729114
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775

Frequently Asked Questions

What is the IUPAC name of (1-bromo-6-methylhept-6-enyl)benzene?
The IUPAC name of (1-bromo-6-methylhept-6-enyl)benzene (CID 114477375) is (1-bromo-6-methylhept-6-enyl)benzene.
What is the SMILES notation for (1-bromo-6-methylhept-6-enyl)benzene?
The canonical SMILES for (1-bromo-6-methylhept-6-enyl)benzene is C=C(C)CCCCC(Br)c1ccccc1.
What is the InChIKey of (1-bromo-6-methylhept-6-enyl)benzene?
The InChIKey is QNRNTHDTDRLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-12(2)8-6-7-11-14(15)13-9-4-3-5-10-13/h3-5,9-10,14H,1,6-8,11H2,2H3.
What are the key properties of (1-bromo-6-methylhept-6-enyl)benzene?
(1-bromo-6-methylhept-6-enyl)benzene has a molecular weight of 267.21 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-6-methylhept-6-enyl)benzene is sourced from PubChem (CID 114477375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).