6-ethoxyhexyl prop-2-enoate

C11H20O3 — CID 88877184

IUPAC6-ethoxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCC
InChIInChI=1S/C11H20O3/c1-3-11(12)14-10-8-6-5-7-9-13-4-2/h3H,1,4-10H2,2H3
InChIKeyXVSIWJMHGOQYQI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds9

About 6-ethoxyhexyl prop-2-enoate

6-ethoxyhexyl prop-2-enoate (PubChem CID 88877184) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-ethoxyhexyl prop-2-enoate.

Molecular Properties

Compound Name6-ethoxyhexyl prop-2-enoate
PubChem CID88877184
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name6-ethoxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOCC
InChIInChI=1S/C11H20O3/c1-3-11(12)14-10-8-6-5-7-9-13-4-2/h3H,1,4-10H2,2H3
InChIKeyXVSIWJMHGOQYQI-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
5-hexoxypentyl prop-2-enoate
CID 141336215
ethane-1,2-diol;ethoxyethane;4-prop-2-enoyloxybutyl prop-2-enoate
CID 155023920
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
pentatriacontyl prop-2-enoate
CID 141309454
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhexyl prop-2-enoate?
The IUPAC name of 6-ethoxyhexyl prop-2-enoate (CID 88877184) is 6-ethoxyhexyl prop-2-enoate.
What is the SMILES notation for 6-ethoxyhexyl prop-2-enoate?
The canonical SMILES for 6-ethoxyhexyl prop-2-enoate is C=CC(=O)OCCCCCCOCC.
What is the InChIKey of 6-ethoxyhexyl prop-2-enoate?
The InChIKey is XVSIWJMHGOQYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-11(12)14-10-8-6-5-7-9-13-4-2/h3H,1,4-10H2,2H3.
What are the key properties of 6-ethoxyhexyl prop-2-enoate?
6-ethoxyhexyl prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyhexyl prop-2-enoate is sourced from PubChem (CID 88877184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).