1-(2-chloropentan-3-yl)-2-ethenylbenzene

C13H17Cl — CID 139903375

IUPAC1-(2-chloropentan-3-yl)-2-ethenylbenzene
SMILESC=Cc1ccccc1C(CC)C(C)Cl
InChIInChI=1S/C13H17Cl/c1-4-11-8-6-7-9-13(11)12(5-2)10(3)14/h4,6-10,12H,1,5H2,2-3H3
InChIKeyULXXTZIBWZCNDM-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-chloropentan-3-yl)-2-ethenylbenzene

1-(2-chloropentan-3-yl)-2-ethenylbenzene (PubChem CID 139903375) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-(2-chloropentan-3-yl)-2-ethenylbenzene.

Molecular Properties

Compound Name1-(2-chloropentan-3-yl)-2-ethenylbenzene
PubChem CID139903375
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-(2-chloropentan-3-yl)-2-ethenylbenzene
SMILESC=Cc1ccccc1C(CC)C(C)Cl
InChIInChI=1S/C13H17Cl/c1-4-11-8-6-7-9-13(11)12(5-2)10(3)14/h4,6-10,12H,1,5H2,2-3H3
InChIKeyULXXTZIBWZCNDM-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.45
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-ethenyl-2-pentan-3-ylbenzene
CID 20542388
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
1-(2-ethenylphenyl)ethanethiol
CID 22186241
1-ethenyl-2-octan-4-ylbenzene
CID 143490700
N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine
CID 123991491
1-ethenyl-2-(1-fluorobutyl)benzene
CID 69254975
2-(2-ethenylphenyl)-N-methyl-N-propylpropan-1-amine
CID 143427493
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539
1-(2-chloropentan-3-yl)-2-(difluoromethylsulfonyl)benzene
CID 63205183
N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
CID 118318081
N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine
CID 70498965
[2-chloro-1-(2-ethenylphenyl)ethyl] acetate
CID 10704383

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropentan-3-yl)-2-ethenylbenzene?
The IUPAC name of 1-(2-chloropentan-3-yl)-2-ethenylbenzene (CID 139903375) is 1-(2-chloropentan-3-yl)-2-ethenylbenzene.
What is the SMILES notation for 1-(2-chloropentan-3-yl)-2-ethenylbenzene?
The canonical SMILES for 1-(2-chloropentan-3-yl)-2-ethenylbenzene is C=Cc1ccccc1C(CC)C(C)Cl.
What is the InChIKey of 1-(2-chloropentan-3-yl)-2-ethenylbenzene?
The InChIKey is ULXXTZIBWZCNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-4-11-8-6-7-9-13(11)12(5-2)10(3)14/h4,6-10,12H,1,5H2,2-3H3.
What are the key properties of 1-(2-chloropentan-3-yl)-2-ethenylbenzene?
1-(2-chloropentan-3-yl)-2-ethenylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropentan-3-yl)-2-ethenylbenzene is sourced from PubChem (CID 139903375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).