1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene

C16H25Br — CID 63438210

IUPAC1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene
SMILESCCCCC(Br)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H25Br/c1-7-8-9-15(17)16-13(5)11(3)10(2)12(4)14(16)6/h15H,7-9H2,1-6H3
InChIKeyXRRHWOWHMNGSRT-UHFFFAOYSA-N
MW297.28 g/mol
LogP5.85
Rot. Bonds4

About 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene

1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene (PubChem CID 63438210) has the molecular formula C16H25Br and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene
PubChem CID63438210
Molecular FormulaC16H25Br
Molecular Weight297.28 g/mol
Exact Mass296.11
IUPAC Name1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene
SMILESCCCCC(Br)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H25Br/c1-7-8-9-15(17)16-13(5)11(3)10(2)12(4)14(16)6/h15H,7-9H2,1-6H3
InChIKeyXRRHWOWHMNGSRT-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromo-2-ethylhexyl)-2,3,4,5,6-pentamethylbenzene
CID 63437954
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
bromo(tributyl)phosphanium bromide
CID 11111219
1,2,3,4,5-pentamethyl-6-oct-1-yn-3-ylbenzene
CID 173046007
5-(1-bromopentyl)benzene-1,3-diol
CID 54428742
methyl 2-(1-bromopentyl)-3,4-dimethoxybenzoate
CID 139719603
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
2-(1-bromoheptyl)-1,3-difluoro-5-methoxybenzene
CID 114753540
3-(dibromomethyl)heptane
CID 87164380
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene (CID 63438210) is 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene is CCCCC(Br)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene?
The InChIKey is XRRHWOWHMNGSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br/c1-7-8-9-15(17)16-13(5)11(3)10(2)12(4)14(16)6/h15H,7-9H2,1-6H3.
What are the key properties of 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene?
1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene has a molecular weight of 297.28 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopentyl)-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 63438210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).