6-bromododec-1-enylbenzene

C18H27Br — CID 158445223

IUPAC6-bromododec-1-enylbenzene
SMILESCCCCCCC(Br)CCCC=Cc1ccccc1
InChIInChI=1S/C18H27Br/c1-2-3-4-10-15-18(19)16-11-6-9-14-17-12-7-5-8-13-17/h5,7-9,12-14,18H,2-4,6,10-11,15-16H2,1H3
InChIKeyHDHRWAKFDZFKIE-UHFFFAOYSA-N
MW323.32 g/mol
LogP6.60
Rot. Bonds10

About 6-bromododec-1-enylbenzene

6-bromododec-1-enylbenzene (PubChem CID 158445223) has the molecular formula C18H27Br and a molecular weight of 323.32 g/mol. Its IUPAC name is 6-bromododec-1-enylbenzene.

Molecular Properties

Compound Name6-bromododec-1-enylbenzene
PubChem CID158445223
Molecular FormulaC18H27Br
Molecular Weight323.32 g/mol
Exact Mass322.13
IUPAC Name6-bromododec-1-enylbenzene
SMILESCCCCCCC(Br)CCCC=Cc1ccccc1
InChIInChI=1S/C18H27Br/c1-2-3-4-10-15-18(19)16-11-6-9-14-17-12-7-5-8-13-17/h5,7-9,12-14,18H,2-4,6,10-11,15-16H2,1H3
InChIKeyHDHRWAKFDZFKIE-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.32
LogP ≤ 56.60
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'}

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Related Compounds

1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-chlorododec-1-enylbenzene
CID 150262306
[(E)-octadec-1-enyl]benzene
CID 22722345
oct-1-enylbenzene;phosphoric acid
CID 159316508
[(E,5R)-5-butylsulfanylhex-1-enyl]benzene
CID 102577338
hex-1-enylbenzene;prop-1-ene
CID 157442084
5-(tripropoxymethyl)tridec-1-enylbenzene
CID 152662617
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
1-bromo-4-[(E)-dec-1-enyl]benzene
CID 102523301

Frequently Asked Questions

What is the IUPAC name of 6-bromododec-1-enylbenzene?
The IUPAC name of 6-bromododec-1-enylbenzene (CID 158445223) is 6-bromododec-1-enylbenzene.
What is the SMILES notation for 6-bromododec-1-enylbenzene?
The canonical SMILES for 6-bromododec-1-enylbenzene is CCCCCCC(Br)CCCC=Cc1ccccc1.
What is the InChIKey of 6-bromododec-1-enylbenzene?
The InChIKey is HDHRWAKFDZFKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Br/c1-2-3-4-10-15-18(19)16-11-6-9-14-17-12-7-5-8-13-17/h5,7-9,12-14,18H,2-4,6,10-11,15-16H2,1H3.
What are the key properties of 6-bromododec-1-enylbenzene?
6-bromododec-1-enylbenzene has a molecular weight of 323.32 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromododec-1-enylbenzene is sourced from PubChem (CID 158445223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).