chloroethene;octyl prop-2-enoate

C13H23ClO2 — CID 87386135

IUPACchloroethene;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.C=CCl
InChIInChI=1S/C11H20O2.C2H3Cl/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-2-3/h4H,2-3,5-10H2,1H3;2H,1H2
InChIKeyUWMOZPJCQMQFHN-UHFFFAOYSA-N
MW246.78 g/mol
LogP4.44
Rot. Bonds8

About chloroethene;octyl prop-2-enoate

chloroethene;octyl prop-2-enoate (PubChem CID 87386135) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is chloroethene;octyl prop-2-enoate.

Molecular Properties

Compound Namechloroethene;octyl prop-2-enoate
PubChem CID87386135
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Namechloroethene;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.C=CCl
InChIInChI=1S/C11H20O2.C2H3Cl/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-2-3/h4H,2-3,5-10H2,1H3;2H,1H2
InChIKeyUWMOZPJCQMQFHN-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
5-hexoxypentyl prop-2-enoate
CID 141336215
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837

Frequently Asked Questions

What is the IUPAC name of chloroethene;octyl prop-2-enoate?
The IUPAC name of chloroethene;octyl prop-2-enoate (CID 87386135) is chloroethene;octyl prop-2-enoate.
What is the SMILES notation for chloroethene;octyl prop-2-enoate?
The canonical SMILES for chloroethene;octyl prop-2-enoate is C=CC(=O)OCCCCCCCC.C=CCl.
What is the InChIKey of chloroethene;octyl prop-2-enoate?
The InChIKey is UWMOZPJCQMQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C2H3Cl/c1-3-5-6-7-8-9-10-13-11(12)4-2;1-2-3/h4H,2-3,5-10H2,1H3;2H,1H2.
What are the key properties of chloroethene;octyl prop-2-enoate?
chloroethene;octyl prop-2-enoate has a molecular weight of 246.78 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;octyl prop-2-enoate is sourced from PubChem (CID 87386135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).