4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate

C15H24O4 — CID 141057446

IUPAC4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CCC)(CCCC)OC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-6-9-11-15(10-7-2,18-13(16)8-3)19-14(17)12(4)5/h8H,3-4,6-7,9-11H2,1-2,5H3
InChIKeyPNHRJQGRXYTGLJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.52
Rot. Bonds9

About 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate

4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate (PubChem CID 141057446) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
PubChem CID141057446
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CCC)(CCCC)OC(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-6-9-11-15(10-7-2,18-13(16)8-3)19-14(17)12(4)5/h8H,3-4,6-7,9-11H2,1-2,5H3
InChIKeyPNHRJQGRXYTGLJ-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
tert-butyl 2-methylprop-2-enoate;tert-butyl prop-2-enoate;hexyl prop-2-enoate
CID 174799146
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
[3-ethyl-1,3-dihydroxy-1-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 142740375
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate?
The IUPAC name of 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate (CID 141057446) is 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate is C=CC(=O)OC(CCC)(CCCC)OC(=O)C(=C)C.
What is the InChIKey of 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate?
The InChIKey is PNHRJQGRXYTGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-9-11-15(10-7-2,18-13(16)8-3)19-14(17)12(4)5/h8H,3-4,6-7,9-11H2,1-2,5H3.
What are the key properties of 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate?
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate is sourced from PubChem (CID 141057446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).