1-(1-bromodecyl)-4-propan-2-ylbenzene

C19H31Br — CID 65426216

IUPAC1-(1-bromodecyl)-4-propan-2-ylbenzene
SMILESCCCCCCCCCC(Br)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H31Br/c1-4-5-6-7-8-9-10-11-19(20)18-14-12-17(13-15-18)16(2)3/h12-16,19H,4-11H2,1-3H3
InChIKeyBVBPIVTZISDQPW-UHFFFAOYSA-N
MW339.36 g/mol
LogP7.39
Rot. Bonds10

About 1-(1-bromodecyl)-4-propan-2-ylbenzene

1-(1-bromodecyl)-4-propan-2-ylbenzene (PubChem CID 65426216) has the molecular formula C19H31Br and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(1-bromodecyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-bromodecyl)-4-propan-2-ylbenzene
PubChem CID65426216
Molecular FormulaC19H31Br
Molecular Weight339.36 g/mol
Exact Mass338.16
IUPAC Name1-(1-bromodecyl)-4-propan-2-ylbenzene
SMILESCCCCCCCCCC(Br)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H31Br/c1-4-5-6-7-8-9-10-11-19(20)18-14-12-17(13-15-18)16(2)3/h12-16,19H,4-11H2,1-3H3
InChIKeyBVBPIVTZISDQPW-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 57.39
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-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
1-(1-bromoheptyl)-4-phenoxybenzene
CID 114753560
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
CID 65428907

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromodecyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(1-bromodecyl)-4-propan-2-ylbenzene (CID 65426216) is 1-(1-bromodecyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-bromodecyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(1-bromodecyl)-4-propan-2-ylbenzene is CCCCCCCCCC(Br)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(1-bromodecyl)-4-propan-2-ylbenzene?
The InChIKey is BVBPIVTZISDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Br/c1-4-5-6-7-8-9-10-11-19(20)18-14-12-17(13-15-18)16(2)3/h12-16,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-bromodecyl)-4-propan-2-ylbenzene?
1-(1-bromodecyl)-4-propan-2-ylbenzene has a molecular weight of 339.36 g/mol, XLogP of 7.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromodecyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 65426216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).