2-prop-2-enoyloxypropyl 3-methylbutanoate

C11H18O4 — CID 170544082

IUPAC2-prop-2-enoyloxypropyl 3-methylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)CC(C)C
InChIInChI=1S/C11H18O4/c1-5-10(12)15-9(4)7-14-11(13)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNYAJVFJJYLIAMT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.69
Rot. Bonds6

About 2-prop-2-enoyloxypropyl 3-methylbutanoate

2-prop-2-enoyloxypropyl 3-methylbutanoate (PubChem CID 170544082) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropyl 3-methylbutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxypropyl 3-methylbutanoate
PubChem CID170544082
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-prop-2-enoyloxypropyl 3-methylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)CC(C)C
InChIInChI=1S/C11H18O4/c1-5-10(12)15-9(4)7-14-11(13)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNYAJVFJJYLIAMT-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.69
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
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
4-oxo-4-[(2R)-2-prop-2-enoyloxypropoxy]butanoic acid
CID 134236430
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
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
5-methylhexan-2-yl prop-2-enoate
CID 151222941
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
2-(2-prop-2-enoyloxypropoxycarbonyl)benzoic acid
CID 21421368
2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate;prop-2-enoyloxymethyl prop-2-enoate;3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate;3-[2-(3-prop-2-enoyloxypropoxy)ethoxy]propyl prop-2-enoate;2-prop-2-enoyloxypropyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 164994221

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropyl 3-methylbutanoate?
The IUPAC name of 2-prop-2-enoyloxypropyl 3-methylbutanoate (CID 170544082) is 2-prop-2-enoyloxypropyl 3-methylbutanoate.
What is the SMILES notation for 2-prop-2-enoyloxypropyl 3-methylbutanoate?
The canonical SMILES for 2-prop-2-enoyloxypropyl 3-methylbutanoate is C=CC(=O)OC(C)COC(=O)CC(C)C.
What is the InChIKey of 2-prop-2-enoyloxypropyl 3-methylbutanoate?
The InChIKey is NYAJVFJJYLIAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-10(12)15-9(4)7-14-11(13)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-prop-2-enoyloxypropyl 3-methylbutanoate?
2-prop-2-enoyloxypropyl 3-methylbutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxypropyl 3-methylbutanoate is sourced from PubChem (CID 170544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).