2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate

C12H20O4 — CID 59264341

IUPAC2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C12H20O4/c1-6-10(13)16-9(3)8-15-11(14)12(4,5)7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyOOFUAETVHZPSPO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.08
Rot. Bonds6

About 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate

2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate (PubChem CID 59264341) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
PubChem CID59264341
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)C(C)(C)CC
InChIInChI=1S/C12H20O4/c1-6-10(13)16-9(3)8-15-11(14)12(4,5)7-2/h6,9H,1,7-8H2,2-5H3
InChIKeyOOFUAETVHZPSPO-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.08
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
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
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 3-methylbutanoate
CID 170544082
1-(2,2-dimethylbutanoyloxy)propan-2-yl 3-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]oxymethyl]-3-methyl-4-prop-2-enoyloxybutanoate
CID 158585155
(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
3-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 23396729
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate?
The IUPAC name of 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate (CID 59264341) is 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate is C=CC(=O)OC(C)COC(=O)C(C)(C)CC.
What is the InChIKey of 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate?
The InChIKey is OOFUAETVHZPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-6-10(13)16-9(3)8-15-11(14)12(4,5)7-2/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate?
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate has a molecular weight of 228.29 g/mol, XLogP of 2.08, 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 2,2-dimethylbutanoate is sourced from PubChem (CID 59264341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).