2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene

C17H27Cl — CID 82987069

IUPAC2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
SMILESCCCC(CCC)C(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27Cl/c1-6-8-15(9-7-2)17(18)16-13(4)10-12(3)11-14(16)5/h10-11,15,17H,6-9H2,1-5H3
InChIKeyVRMFZENOERPWMU-UHFFFAOYSA-N
MW266.86 g/mol
LogP6.11
Rot. Bonds6

About 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene

2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene (PubChem CID 82987069) has the molecular formula C17H27Cl and a molecular weight of 266.86 g/mol. Its IUPAC name is 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
PubChem CID82987069
Molecular FormulaC17H27Cl
Molecular Weight266.86 g/mol
Exact Mass266.18
IUPAC Name2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
SMILESCCCC(CCC)C(Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27Cl/c1-6-8-15(9-7-2)17(18)16-13(4)10-12(3)11-14(16)5/h10-11,15,17H,6-9H2,1-5H3
InChIKeyVRMFZENOERPWMU-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.86
LogP ≤ 56.11
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-(1-bromo-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987727
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 82985195
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
1-(2,4,6-trimethylphenyl)butylhydrazine
CID 105282251
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene (CID 82987069) is 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene is CCCC(CCC)C(Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene?
The InChIKey is VRMFZENOERPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl/c1-6-8-15(9-7-2)17(18)16-13(4)10-12(3)11-14(16)5/h10-11,15,17H,6-9H2,1-5H3.
What are the key properties of 2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene?
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene has a molecular weight of 266.86 g/mol, XLogP of 6.11, 6 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)-1,3,5-trimethylbenzene is sourced from PubChem (CID 82987069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).