chloroethene;propyl propanoate

C8H15ClO2 — CID 174975426

IUPACchloroethene;propyl propanoate
SMILESC=CCl.CCCOC(=O)CC
InChIInChI=1S/C6H12O2.C2H3Cl/c1-3-5-8-6(7)4-2;1-2-3/h3-5H2,1-2H3;2H,1H2
InChIKeyDBAILJUFJFNYOO-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.72
Rot. Bonds3

About chloroethene;propyl propanoate

chloroethene;propyl propanoate (PubChem CID 174975426) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is chloroethene;propyl propanoate.

Molecular Properties

Compound Namechloroethene;propyl propanoate
PubChem CID174975426
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Namechloroethene;propyl propanoate
SMILESC=CCl.CCCOC(=O)CC
InChIInChI=1S/C6H12O2.C2H3Cl/c1-3-5-8-6(7)4-2;1-2-3/h3-5H2,1-2H3;2H,1H2
InChIKeyDBAILJUFJFNYOO-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

chloromethane;prop-2-enyl propanoate
CID 174815872
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
cyclopropanecarboxylic acid;propyl propanoate
CID 162163858
azane;prop-2-enyl propanoate
CID 87729437
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
propan-2-one;prop-2-enyl propanoate
CID 174904905
pentyl propanoate;hydrofluoride
CID 174645674
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
5-O-pent-4-enyl 1-O-propyl pentanedioate
CID 91706414
4-methylphenol;propyl propanoate
CID 174290139
propyl 2-fluoroacetate
CID 24957

Frequently Asked Questions

What is the IUPAC name of chloroethene;propyl propanoate?
The IUPAC name of chloroethene;propyl propanoate (CID 174975426) is chloroethene;propyl propanoate.
What is the SMILES notation for chloroethene;propyl propanoate?
The canonical SMILES for chloroethene;propyl propanoate is C=CCl.CCCOC(=O)CC.
What is the InChIKey of chloroethene;propyl propanoate?
The InChIKey is DBAILJUFJFNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H3Cl/c1-3-5-8-6(7)4-2;1-2-3/h3-5H2,1-2H3;2H,1H2.
What are the key properties of chloroethene;propyl propanoate?
chloroethene;propyl propanoate has a molecular weight of 178.66 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;propyl propanoate is sourced from PubChem (CID 174975426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).