(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate

C12H18O5 — CID 174524002

IUPAC(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OC1CCOC1C
InChIInChI=1S/C12H18O5/c1-4-11(13)16-7-8(2)12(14)17-10-5-6-15-9(10)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyDZUXTYWDHLSBON-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.07
Rot. Bonds5

About (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate

(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate (PubChem CID 174524002) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
PubChem CID174524002
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCC(C)C(=O)OC1CCOC1C
InChIInChI=1S/C12H18O5/c1-4-11(13)16-7-8(2)12(14)17-10-5-6-15-9(10)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyDZUXTYWDHLSBON-UHFFFAOYSA-N
XLogP1.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
phosphono 2-methyl-3-prop-2-enoyloxypropanoate
CID 174544812
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
CID 57284318
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-3-prop-2-enoyloxypropanoate
CID 170086005
(7-methyl-1,4-dioxepan-2-yl) prop-2-enoate
CID 58183699
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate?
The IUPAC name of (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate (CID 174524002) is (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate.
What is the SMILES notation for (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate?
The canonical SMILES for (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate is C=CC(=O)OCC(C)C(=O)OC1CCOC1C.
What is the InChIKey of (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate?
The InChIKey is DZUXTYWDHLSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-11(13)16-7-8(2)12(14)17-10-5-6-15-9(10)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate?
(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate has a molecular weight of 242.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 174524002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).