1-(2-bromoethyl)-4-decylbenzene

C18H29Br — CID 70453406

IUPAC1-(2-bromoethyl)-4-decylbenzene
SMILESCCCCCCCCCCc1ccc(CCBr)cc1
InChIInChI=1S/C18H29Br/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15-16-19/h11-14H,2-10,15-16H2,1H3
InChIKeyGDONTGVVILPLQG-UHFFFAOYSA-N
MW325.33 g/mol
LogP6.31
Rot. Bonds11

About 1-(2-bromoethyl)-4-decylbenzene

1-(2-bromoethyl)-4-decylbenzene (PubChem CID 70453406) has the molecular formula C18H29Br and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-decylbenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-decylbenzene
PubChem CID70453406
Molecular FormulaC18H29Br
Molecular Weight325.33 g/mol
Exact Mass324.15
IUPAC Name1-(2-bromoethyl)-4-decylbenzene
SMILESCCCCCCCCCCc1ccc(CCBr)cc1
InChIInChI=1S/C18H29Br/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15-16-19/h11-14H,2-10,15-16H2,1H3
InChIKeyGDONTGVVILPLQG-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 56.31
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-butyl-4-nonylbenzene
CID 59545302
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-methyl-4-octylbenzene
CID 11052746
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
1,4-bis(8-bromooctyl)benzene
CID 19907449
CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
CID 141122271
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-decylbenzene?
The IUPAC name of 1-(2-bromoethyl)-4-decylbenzene (CID 70453406) is 1-(2-bromoethyl)-4-decylbenzene.
What is the SMILES notation for 1-(2-bromoethyl)-4-decylbenzene?
The canonical SMILES for 1-(2-bromoethyl)-4-decylbenzene is CCCCCCCCCCc1ccc(CCBr)cc1.
What is the InChIKey of 1-(2-bromoethyl)-4-decylbenzene?
The InChIKey is GDONTGVVILPLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Br/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)15-16-19/h11-14H,2-10,15-16H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-decylbenzene?
1-(2-bromoethyl)-4-decylbenzene has a molecular weight of 325.33 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-decylbenzene is sourced from PubChem (CID 70453406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).