prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene

C7H8Cl4O2 — CID 22272138

IUPACprop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene
SMILESC=C(C)OC(C)=O.ClC(Cl)=C(Cl)Cl
InChIInChI=1S/C5H8O2.C2Cl4/c1-4(2)7-5(3)6;3-1(4)2(5)6/h1H2,2-3H3;
InChIKeyDXKVZYWWMYJUBL-UHFFFAOYSA-N
MW265.95 g/mol
LogP4.15
Rot. Bonds1

About prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene

prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene (PubChem CID 22272138) has the molecular formula C7H8Cl4O2 and a molecular weight of 265.95 g/mol. Its IUPAC name is prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene.

Molecular Properties

Compound Nameprop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene
PubChem CID22272138
Molecular FormulaC7H8Cl4O2
Molecular Weight265.95 g/mol
Exact Mass263.93
IUPAC Nameprop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene
SMILESC=C(C)OC(C)=O.ClC(Cl)=C(Cl)Cl
InChIInChI=1S/C5H8O2.C2Cl4/c1-4(2)7-5(3)6;3-1(4)2(5)6/h1H2,2-3H3;
InChIKeyDXKVZYWWMYJUBL-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.95
LogP ≤ 54.15
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

prop-1-en-2-yl acetate;hydrate
CID 175309612
methanol;prop-1-en-2-yl acetate
CID 87442615
2-methylprop-2-enoic acid;2-prop-1-en-2-yloxyprop-1-ene
CID 87378028
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
chloro prop-1-en-2-yl carbonate
CID 19969150
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
1,1-dichlorobut-1-en-2-yl acetate
CID 88784840
acetyl acetate;chromium(2+)
CID 19978523
acetyl acetate;hydrochloride
CID 87138027
CID 160689228
CID 160689228
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene?
The IUPAC name of prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene (CID 22272138) is prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene.
What is the SMILES notation for prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene?
The canonical SMILES for prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene is C=C(C)OC(C)=O.ClC(Cl)=C(Cl)Cl.
What is the InChIKey of prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene?
The InChIKey is DXKVZYWWMYJUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2Cl4/c1-4(2)7-5(3)6;3-1(4)2(5)6/h1H2,2-3H3;.
What are the key properties of prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene?
prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene has a molecular weight of 265.95 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl acetate;1,1,2,2-tetrachloroethene is sourced from PubChem (CID 22272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).