(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate

C10H16O4 — CID 175513416

IUPAC(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCOC(C)(CC)O1
InChIInChI=1S/C10H16O4/c1-4-8(11)13-9-6-7-12-10(3,5-2)14-9/h4,9H,1,5-7H2,2-3H3
InChIKeyJVJCELJJGIJPDB-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.60
Rot. Bonds3

About (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate

(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate (PubChem CID 175513416) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
PubChem CID175513416
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCOC(C)(CC)O1
InChIInChI=1S/C10H16O4/c1-4-8(11)13-9-6-7-12-10(3,5-2)14-9/h4,9H,1,5-7H2,2-3H3
InChIKeyJVJCELJJGIJPDB-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.60
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

[5,5-bis(trifluoromethyl)oxolan-2-yl] prop-2-enoate
CID 146492780
1-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)propyl prop-2-enoate
CID 67003798
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
(7-methyl-1,4-dioxepan-2-yl) prop-2-enoate
CID 58183699
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
CID 175512236
2-ethyl-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 170549993
(6-oxooxan-2-yl) prop-2-enoate
CID 67204371
(2-ethyl-3-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141208157
[(1S,4S)-4-ethyl-2,2,3,3-tetramethylcyclopentyl] prop-2-enoate
CID 174020370
(6-ethyloxan-3-yl) prop-2-enoate
CID 145009692
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate?
The IUPAC name of (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate (CID 175513416) is (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate.
What is the SMILES notation for (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate?
The canonical SMILES for (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate is C=CC(=O)OC1CCOC(C)(CC)O1.
What is the InChIKey of (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate?
The InChIKey is JVJCELJJGIJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-8(11)13-9-6-7-12-10(3,5-2)14-9/h4,9H,1,5-7H2,2-3H3.
What are the key properties of (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate?
(2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methyl-1,3-dioxan-4-yl) prop-2-enoate is sourced from PubChem (CID 175513416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).