1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene

C18H27Br — CID 155108237

IUPAC1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene
SMILESCCCC(CCC)=C(CC)c1cc(Br)c(C)cc1C
InChIInChI=1S/C18H27Br/c1-6-9-15(10-7-2)16(8-3)17-12-18(19)14(5)11-13(17)4/h11-12H,6-10H2,1-5H3
InChIKeyXAVCFGIXLYZJRN-UHFFFAOYSA-N
MW323.32 g/mol
LogP6.83
Rot. Bonds6

About 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene

1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene (PubChem CID 155108237) has the molecular formula C18H27Br and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene.

Molecular Properties

Compound Name1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene
PubChem CID155108237
Molecular FormulaC18H27Br
Molecular Weight323.32 g/mol
Exact Mass322.13
IUPAC Name1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene
SMILESCCCC(CCC)=C(CC)c1cc(Br)c(C)cc1C
InChIInChI=1S/C18H27Br/c1-6-9-15(10-7-2)16(8-3)17-12-18(19)14(5)11-13(17)4/h11-12H,6-10H2,1-5H3
InChIKeyXAVCFGIXLYZJRN-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.32
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-5-[(E)-4-ethylhept-3-en-3-yl]-4-methyl-2-(trifluoromethoxy)benzene
CID 155108386
4-methyl-3-(4-propylhept-3-en-3-yl)benzamide
CID 155108244
2-chloro-5-[(E)-4-ethylhept-3-en-3-yl]-4-methylbenzonitrile
CID 155108445
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
4-(3-chlorophenyl)-2-[(E)-4-ethylhept-3-en-3-yl]-1-methylbenzene
CID 155108448
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
CID 155108241
1-(2-amino-4-bromo-5-methylphenyl)propan-1-one
CID 165442529
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene?
The IUPAC name of 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene (CID 155108237) is 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene.
What is the SMILES notation for 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene?
The canonical SMILES for 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene is CCCC(CCC)=C(CC)c1cc(Br)c(C)cc1C.
What is the InChIKey of 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene?
The InChIKey is XAVCFGIXLYZJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Br/c1-6-9-15(10-7-2)16(8-3)17-12-18(19)14(5)11-13(17)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene?
1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene has a molecular weight of 323.32 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethyl-5-(4-propylhept-3-en-3-yl)benzene is sourced from PubChem (CID 155108237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).