2-prop-2-enoyloxypropyl 2-methylbutanoate

C11H18O4 — CID 141176089

IUPAC2-prop-2-enoyloxypropyl 2-methylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)C(C)CC
InChIInChI=1S/C11H18O4/c1-5-8(3)11(13)14-7-9(4)15-10(12)6-2/h6,8-9H,2,5,7H2,1,3-4H3
InChIKeyNYVQSBDASFBVQC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.69
Rot. Bonds6

About 2-prop-2-enoyloxypropyl 2-methylbutanoate

2-prop-2-enoyloxypropyl 2-methylbutanoate (PubChem CID 141176089) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropyl 2-methylbutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxypropyl 2-methylbutanoate
PubChem CID141176089
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-prop-2-enoyloxypropyl 2-methylbutanoate
SMILESC=CC(=O)OC(C)COC(=O)C(C)CC
InChIInChI=1S/C11H18O4/c1-5-8(3)11(13)14-7-9(4)15-10(12)6-2/h6,8-9H,2,5,7H2,1,3-4H3
InChIKeyNYVQSBDASFBVQC-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

Tripropylene glycol diacrylate
CID 4128060
Tripropyleneglycol diacrylate
CID 93414
Dipropylene glycol diacrylate
CID 3034434
2-Propenoic acid, 1,3-dimethylbutyl ester
CID 86808
1,2'-Oxydipropanol diacrylate
CID 9942853
2-Methacryloyloxypropyl acrylate
CID 57198481
2,2'-Oxydipropanol diacrylate
CID 53401341
2-Propenoic acid, 2-(2-(2-methoxymethylethoxy)methylethoxy)methylethyl ester
CID 58165347
(2,2-Difluorooxy-3-methylbutyl) prop-2-enoate
CID 175351965
Fumaric acid, 3-methylbutyl 3-methylbut-2-yl ester
CID 91725216
2-Prop-2-enoyloxybutyl prop-2-enoate
CID 21806730
3-(Butyryloxy) propan-1,2-diyl diacrylate
CID 129854754

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropyl 2-methylbutanoate?
The IUPAC name of 2-prop-2-enoyloxypropyl 2-methylbutanoate (CID 141176089) is 2-prop-2-enoyloxypropyl 2-methylbutanoate.
What is the SMILES notation for 2-prop-2-enoyloxypropyl 2-methylbutanoate?
The canonical SMILES for 2-prop-2-enoyloxypropyl 2-methylbutanoate is C=CC(=O)OC(C)COC(=O)C(C)CC.
What is the InChIKey of 2-prop-2-enoyloxypropyl 2-methylbutanoate?
The InChIKey is NYVQSBDASFBVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-8(3)11(13)14-7-9(4)15-10(12)6-2/h6,8-9H,2,5,7H2,1,3-4H3.
What are the key properties of 2-prop-2-enoyloxypropyl 2-methylbutanoate?
2-prop-2-enoyloxypropyl 2-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 2-methylbutanoate is sourced from PubChem (CID 141176089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).