1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate

C13H20O4 — CID 57217151

IUPAC1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCCC(CCC)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-5-7-11(17-13(15)10(3)4)8-9-16-12(14)6-2/h6,11H,2-3,5,7-9H2,1,4H3
InChIKeyVLXJTICQJHTVJZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.39
Rot. Bonds8

About 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate

1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate (PubChem CID 57217151) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
PubChem CID57217151
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCCC(CCC)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-5-7-11(17-13(15)10(3)4)8-9-16-12(14)6-2/h6,11H,2-3,5,7-9H2,1,4H3
InChIKeyVLXJTICQJHTVJZ-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
1-acetyloxyoctan-4-yl 2-methylprop-2-enoate
CID 87065567
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-[[3-(3-hydroxypropoxy)-3-oxoprop-1-enyl]amino]hexan-3-yl 2-methylprop-2-enoate
CID 121267059
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
3-chlorohexyl prop-2-enoate
CID 150301446
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate (CID 57217151) is 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate is C=CC(=O)OCCC(CCC)OC(=O)C(=C)C.
What is the InChIKey of 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate?
The InChIKey is VLXJTICQJHTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-7-11(17-13(15)10(3)4)8-9-16-12(14)6-2/h6,11H,2-3,5,7-9H2,1,4H3.
What are the key properties of 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate?
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 57217151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).