2-prop-2-enoyloxypropyl (E)-but-2-enoate

C10H14O4 — CID 174502403

IUPAC2-prop-2-enoyloxypropyl (E)-but-2-enoate
SMILESC=CC(=O)OC(C)COC(=O)/C=C/C
InChIInChI=1S/C10H14O4/c1-4-6-10(12)13-7-8(3)14-9(11)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+
InChIKeyDRVUKEIWHAMQCJ-GQCTYLIASA-N
MW198.22 g/mol
LogP1.22
Rot. Bonds5

About 2-prop-2-enoyloxypropyl (E)-but-2-enoate

2-prop-2-enoyloxypropyl (E)-but-2-enoate (PubChem CID 174502403) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropyl (E)-but-2-enoate.

Molecular Properties

Compound Name2-prop-2-enoyloxypropyl (E)-but-2-enoate
PubChem CID174502403
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-prop-2-enoyloxypropyl (E)-but-2-enoate
SMILESC=CC(=O)OC(C)COC(=O)/C=C/C
InChIInChI=1S/C10H14O4/c1-4-6-10(12)13-7-8(3)14-9(11)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+
InChIKeyDRVUKEIWHAMQCJ-GQCTYLIASA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.22
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

methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
2-[[(E)-but-2-enoyl]oxymethyl]but-3-enyl (E)-but-2-enoate
CID 59047487
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
CID 6446969
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropyl (E)-but-2-enoate?
The IUPAC name of 2-prop-2-enoyloxypropyl (E)-but-2-enoate (CID 174502403) is 2-prop-2-enoyloxypropyl (E)-but-2-enoate.
What is the SMILES notation for 2-prop-2-enoyloxypropyl (E)-but-2-enoate?
The canonical SMILES for 2-prop-2-enoyloxypropyl (E)-but-2-enoate is C=CC(=O)OC(C)COC(=O)/C=C/C.
What is the InChIKey of 2-prop-2-enoyloxypropyl (E)-but-2-enoate?
The InChIKey is DRVUKEIWHAMQCJ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14O4/c1-4-6-10(12)13-7-8(3)14-9(11)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+.
What are the key properties of 2-prop-2-enoyloxypropyl (E)-but-2-enoate?
2-prop-2-enoyloxypropyl (E)-but-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxypropyl (E)-but-2-enoate is sourced from PubChem (CID 174502403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).