[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

C15H24O4 — CID 175965047

IUPAC[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)C(CC)CC
InChIInChI=1S/C15H24O4/c1-6-12(7-2)15(5,10-18-13(16)8-3)11-19-14(17)9-4/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3
InChIKeyIEJGGDNVWMJFBE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.89
Rot. Bonds9

About [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate

[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (PubChem CID 175965047) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.

Molecular Properties

Compound Name[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
PubChem CID175965047
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)C(CC)CC
InChIInChI=1S/C15H24O4/c1-6-12(7-2)15(5,10-18-13(16)8-3)11-19-14(17)9-4/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3
InChIKeyIEJGGDNVWMJFBE-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(2,2-dimethyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 161076585
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
CID 123610897
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
CID 156790116
3,4-diethylhexan-3-yl prop-2-enoate
CID 175395988
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
[2-[[hydroxy-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 171853521
[2-propan-2-ylsulfanyl-2-(2-propan-2-ylsulfanyl-1-prop-2-enoyloxypropan-2-yl)sulfanylpropyl] prop-2-enoate
CID 139834242

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The IUPAC name of [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate (CID 175965047) is [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate.
What is the SMILES notation for [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The canonical SMILES for [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)C(CC)CC.
What is the InChIKey of [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
The InChIKey is IEJGGDNVWMJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-12(7-2)15(5,10-18-13(16)8-3)11-19-14(17)9-4/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3.
What are the key properties of [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate?
[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate is sourced from PubChem (CID 175965047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).