1,3-dioxolan-4-yl 2-methylprop-2-enoate

C7H10O4 — CID 118057422

IUPAC1,3-dioxolan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COCO1
InChIInChI=1S/C7H10O4/c1-5(2)7(8)11-6-3-9-4-10-6/h6H,1,3-4H2,2H3
InChIKeyWKDQKAHQJVYDBT-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.44
Rot. Bonds2

About 1,3-dioxolan-4-yl 2-methylprop-2-enoate

1,3-dioxolan-4-yl 2-methylprop-2-enoate (PubChem CID 118057422) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1,3-dioxolan-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,3-dioxolan-4-yl 2-methylprop-2-enoate
PubChem CID118057422
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1,3-dioxolan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COCO1
InChIInChI=1S/C7H10O4/c1-5(2)7(8)11-6-3-9-4-10-6/h6H,1,3-4H2,2H3
InChIKeyWKDQKAHQJVYDBT-UHFFFAOYSA-N
XLogP0.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.44
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

oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183676
(8-methyl-1,4-dioxocan-2-yl) 2-methylprop-2-enoate
CID 58183602
(5-methyl-1,4-oxathian-2-yl) 2-methylprop-2-enoate
CID 58183697
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl) 2-methylprop-2-enoate
CID 66648582
oxiran-2-yl (E)-2-methylbut-2-enoate
CID 151801288
[1-(1,4-dioxepan-2-yloxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 59638102
[(3R,4R,5S)-6-acetyloxy-4,5-bis(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 144922848
(6-methyloxan-3-yl) 2-methylprop-2-enoate
CID 129192147
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-yl 2-methylprop-2-enoate?
The IUPAC name of 1,3-dioxolan-4-yl 2-methylprop-2-enoate (CID 118057422) is 1,3-dioxolan-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1,3-dioxolan-4-yl 2-methylprop-2-enoate?
The canonical SMILES for 1,3-dioxolan-4-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1COCO1.
What is the InChIKey of 1,3-dioxolan-4-yl 2-methylprop-2-enoate?
The InChIKey is WKDQKAHQJVYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(2)7(8)11-6-3-9-4-10-6/h6H,1,3-4H2,2H3.
What are the key properties of 1,3-dioxolan-4-yl 2-methylprop-2-enoate?
1,3-dioxolan-4-yl 2-methylprop-2-enoate has a molecular weight of 158.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-yl 2-methylprop-2-enoate is sourced from PubChem (CID 118057422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).