2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene

C18H29Cl — CID 82987639

IUPAC2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
SMILESCCCC(CCC)C(Cl)c1cc(CC)ccc1CC
InChIInChI=1S/C18H29Cl/c1-5-9-16(10-6-2)18(19)17-13-14(7-3)11-12-15(17)8-4/h11-13,16,18H,5-10H2,1-4H3
InChIKeyQPOUQQQNMUWCAG-UHFFFAOYSA-N
MW280.88 g/mol
LogP6.31
Rot. Bonds8

About 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene

2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene (PubChem CID 82987639) has the molecular formula C18H29Cl and a molecular weight of 280.88 g/mol. Its IUPAC name is 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
PubChem CID82987639
Molecular FormulaC18H29Cl
Molecular Weight280.88 g/mol
Exact Mass280.20
IUPAC Name2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
SMILESCCCC(CCC)C(Cl)c1cc(CC)ccc1CC
InChIInChI=1S/C18H29Cl/c1-5-9-16(10-6-2)18(19)17-13-14(7-3)11-12-15(17)8-4/h11-13,16,18H,5-10H2,1-4H3
InChIKeyQPOUQQQNMUWCAG-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.88
LogP ≤ 56.31
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

2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
CID 82990050
1-(1-chloro-2-methylpentyl)-4-ethylbenzene
CID 63431673
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048
4-ethyl-1-methyl-2-[(2R)-pentan-2-yl]benzene
CID 144520525
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
CID 103211115
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
CID 81461295
2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
CID 107958899
3-(2,5-diethylphenyl)butyl thiocyanate
CID 112717069

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene?
The IUPAC name of 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene (CID 82987639) is 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene.
What is the SMILES notation for 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene?
The canonical SMILES for 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene is CCCC(CCC)C(Cl)c1cc(CC)ccc1CC.
What is the InChIKey of 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene?
The InChIKey is QPOUQQQNMUWCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl/c1-5-9-16(10-6-2)18(19)17-13-14(7-3)11-12-15(17)8-4/h11-13,16,18H,5-10H2,1-4H3.
What are the key properties of 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene?
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene has a molecular weight of 280.88 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene is sourced from PubChem (CID 82987639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).