chloroethene;ethenyl acetate;styrene

C14H17ClO2 — CID 87524858

IUPACchloroethene;ethenyl acetate;styrene
SMILESC=CCl.C=COC(C)=O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6O2.C2H3Cl/c1-2-8-6-4-3-5-7-8;1-3-6-4(2)5;1-2-3/h2-7H,1H2;3H,1H2,2H3;2H,1H2
InChIKeyYTGQKLWBYMQJAB-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.39
Rot. Bonds2

About chloroethene;ethenyl acetate;styrene

chloroethene;ethenyl acetate;styrene (PubChem CID 87524858) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is chloroethene;ethenyl acetate;styrene.

Molecular Properties

Compound Namechloroethene;ethenyl acetate;styrene
PubChem CID87524858
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Namechloroethene;ethenyl acetate;styrene
SMILESC=CCl.C=COC(C)=O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C4H6O2.C2H3Cl/c1-2-8-6-4-3-5-7-8;1-3-6-4(2)5;1-2-3/h2-7H,1H2;3H,1H2,2H3;2H,1H2
InChIKeyYTGQKLWBYMQJAB-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloroethene;ethenyl acetate;styrene?
The IUPAC name of chloroethene;ethenyl acetate;styrene (CID 87524858) is chloroethene;ethenyl acetate;styrene.
What is the SMILES notation for chloroethene;ethenyl acetate;styrene?
The canonical SMILES for chloroethene;ethenyl acetate;styrene is C=CCl.C=COC(C)=O.C=Cc1ccccc1.
What is the InChIKey of chloroethene;ethenyl acetate;styrene?
The InChIKey is YTGQKLWBYMQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6O2.C2H3Cl/c1-2-8-6-4-3-5-7-8;1-3-6-4(2)5;1-2-3/h2-7H,1H2;3H,1H2,2H3;2H,1H2.
What are the key properties of chloroethene;ethenyl acetate;styrene?
chloroethene;ethenyl acetate;styrene has a molecular weight of 252.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethenyl acetate;styrene is sourced from PubChem (CID 87524858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).