1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene

C20H33Cl — CID 82990050

IUPAC1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
SMILESCCCC(CCC)C(Cl)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H33Cl/c1-7-9-16(10-8-2)20(21)18-12-11-17(14(3)4)13-19(18)15(5)6/h11-16,20H,7-10H2,1-6H3
InChIKeyYOEULZIWOMUHIE-UHFFFAOYSA-N
MW308.94 g/mol
LogP7.43
Rot. Bonds8

About 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene

1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene (PubChem CID 82990050) has the molecular formula C20H33Cl and a molecular weight of 308.94 g/mol. Its IUPAC name is 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
PubChem CID82990050
Molecular FormulaC20H33Cl
Molecular Weight308.94 g/mol
Exact Mass308.23
IUPAC Name1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
SMILESCCCC(CCC)C(Cl)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H33Cl/c1-7-9-16(10-8-2)20(21)18-12-11-17(14(3)4)13-19(18)15(5)6/h11-16,20H,7-10H2,1-6H3
InChIKeyYOEULZIWOMUHIE-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.94
LogP ≤ 57.43
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-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
CID 79096016
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
CID 43491280
1-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2,4-di(propan-2-yl)benzene
CID 66475812
2-hydroxy-3-(1-hydroxybutyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 21459942

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene?
The IUPAC name of 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene (CID 82990050) is 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene?
The canonical SMILES for 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene is CCCC(CCC)C(Cl)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene?
The InChIKey is YOEULZIWOMUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Cl/c1-7-9-16(10-8-2)20(21)18-12-11-17(14(3)4)13-19(18)15(5)6/h11-16,20H,7-10H2,1-6H3.
What are the key properties of 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene?
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene has a molecular weight of 308.94 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 82990050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).