1-chloro-2-ethenylbenzene;pentane

C13H19Cl — CID 174548012

IUPAC1-chloro-2-ethenylbenzene;pentane
SMILESC=Cc1ccccc1Cl.CCCCC
InChIInChI=1S/C8H7Cl.C5H12/c1-2-7-5-3-4-6-8(7)9;1-3-5-4-2/h2-6H,1H2;3-5H2,1-2H3
InChIKeyVIMCJSNEUBJAJK-UHFFFAOYSA-N
MW210.75 g/mol
LogP5.18
Rot. Bonds3

About 1-chloro-2-ethenylbenzene;pentane

1-chloro-2-ethenylbenzene;pentane (PubChem CID 174548012) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-chloro-2-ethenylbenzene;pentane.

Molecular Properties

Compound Name1-chloro-2-ethenylbenzene;pentane
PubChem CID174548012
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-chloro-2-ethenylbenzene;pentane
SMILESC=Cc1ccccc1Cl.CCCCC
InChIInChI=1S/C8H7Cl.C5H12/c1-2-7-5-3-4-6-8(7)9;1-3-5-4-2/h2-6H,1H2;3-5H2,1-2H3
InChIKeyVIMCJSNEUBJAJK-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.75
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157063398
1-chloro-2-ethenylbenzene;nitrous acid
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1-butyl-2-chloro-3-ethenylbenzene
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1-chloro-2-ethenylbenzene;methyl prop-2-enoate
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1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-chloronaphthalene;pentane
CID 19360859
1-ethenyl-2-(4-hexylphenyl)benzene
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CID 102035541
CID 102035541

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenylbenzene;pentane?
The IUPAC name of 1-chloro-2-ethenylbenzene;pentane (CID 174548012) is 1-chloro-2-ethenylbenzene;pentane.
What is the SMILES notation for 1-chloro-2-ethenylbenzene;pentane?
The canonical SMILES for 1-chloro-2-ethenylbenzene;pentane is C=Cc1ccccc1Cl.CCCCC.
What is the InChIKey of 1-chloro-2-ethenylbenzene;pentane?
The InChIKey is VIMCJSNEUBJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C5H12/c1-2-7-5-3-4-6-8(7)9;1-3-5-4-2/h2-6H,1H2;3-5H2,1-2H3.
What are the key properties of 1-chloro-2-ethenylbenzene;pentane?
1-chloro-2-ethenylbenzene;pentane has a molecular weight of 210.75 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenylbenzene;pentane is sourced from PubChem (CID 174548012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).