2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate

C15H24O4 — CID 89020889

IUPAC2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate
SMILESC=CC(=O)OCCOC(=O)C(C=C(C)C)C(C)(C)C
InChIInChI=1S/C15H24O4/c1-7-13(16)18-8-9-19-14(17)12(10-11(2)3)15(4,5)6/h7,10,12H,1,8-9H2,2-6H3
InChIKeyLZYYDDIWTDGNGR-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.89
Rot. Bonds6

About 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate

2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate (PubChem CID 89020889) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate
PubChem CID89020889
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate
SMILESC=CC(=O)OCCOC(=O)C(C=C(C)C)C(C)(C)C
InChIInChI=1S/C15H24O4/c1-7-13(16)18-8-9-19-14(17)12(10-11(2)3)15(4,5)6/h7,10,12H,1,8-9H2,2-6H3
InChIKeyLZYYDDIWTDGNGR-UHFFFAOYSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-tert-butyl-4-methylpent-3-enoate
CID 88968022
4-[2-(2-tert-butyl-4-methylpent-3-enoyl)oxyethoxy]-4-oxobutanoic acid
CID 88908690
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate (CID 89020889) is 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate is C=CC(=O)OCCOC(=O)C(C=C(C)C)C(C)(C)C.
What is the InChIKey of 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate?
The InChIKey is LZYYDDIWTDGNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-7-13(16)18-8-9-19-14(17)12(10-11(2)3)15(4,5)6/h7,10,12H,1,8-9H2,2-6H3.
What are the key properties of 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate?
2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 2-tert-butyl-4-methylpent-3-enoate is sourced from PubChem (CID 89020889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).