Ethyl-6-acryloxy-hexanoate

C11H18O4 — CID 90238349

IUPACethyl 6-prop-2-enoyloxyhexanoate
SMILESCCOC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8-11(13)14-4-2/h3H,1,4-9H2,2H3
InChIKeySZIQSDCXMCNQBO-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.00
Rot. Bonds10

About Ethyl-6-acryloxy-hexanoate

Ethyl-6-acryloxy-hexanoate (PubChem CID 90238349) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound NameEthyl-6-acryloxy-hexanoate
PubChem CID90238349
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 6-prop-2-enoyloxyhexanoate
SMILESCCOC(=O)CCCCCOC(=O)C=C
InChIInChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8-11(13)14-4-2/h3H,1,4-9H2,2H3
InChIKeySZIQSDCXMCNQBO-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,6-Hexanediol diacrylate
CID 25644
Allyl caproate
CID 31266
Allyl Heptanoate
CID 8878
Hexyl acrylate
CID 17259
Hexanedioic acid, 1,6-di-2-propen-1-yl ester
CID 18139
2-(Acryloyloxy)ethyl 6-hydroxyhexanoate
CID 3018935
Hexanoic acid, 2-butenyl ester
CID 5369196
Diallyl pimelate
CID 243220
Methyl 3-fluoro-6-prop-2-enoyloxyhexanoate
CID 154715261
Methyl 6-(acryloyloxy)hexanoate
CID 15936995
6-(Acryloyloxy)hexanoic acid
CID 15936996
Bis[2-(acryloyloxy)ethyl] hexanedioate
CID 53896682

Frequently Asked Questions

What is the IUPAC name of Ethyl-6-acryloxy-hexanoate?
The IUPAC name of Ethyl-6-acryloxy-hexanoate (CID 90238349) is ethyl 6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for Ethyl-6-acryloxy-hexanoate?
The canonical SMILES for Ethyl-6-acryloxy-hexanoate is CCOC(=O)CCCCCOC(=O)C=C.
What is the InChIKey of Ethyl-6-acryloxy-hexanoate?
The InChIKey is SZIQSDCXMCNQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-10(12)15-9-7-5-6-8-11(13)14-4-2/h3H,1,4-9H2,2H3.
What are the key properties of Ethyl-6-acryloxy-hexanoate?
Ethyl-6-acryloxy-hexanoate has a molecular weight of 214.26 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl-6-acryloxy-hexanoate is sourced from PubChem (CID 90238349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).