(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate

C11H16O4 — CID 155797165

IUPAC(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1=COC(CCC)O1
InChIInChI=1S/C11H16O4/c1-4-5-10-13-6-9(15-10)7-14-11(12)8(2)3/h6,10H,2,4-5,7H2,1,3H3
InChIKeyCSESHQZUDDDZQC-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.12
Rot. Bonds5

About (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate

(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate (PubChem CID 155797165) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate
PubChem CID155797165
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1=COC(CCC)O1
InChIInChI=1S/C11H16O4/c1-4-5-10-13-6-9(15-10)7-14-11(12)8(2)3/h6,10H,2,4-5,7H2,1,3H3
InChIKeyCSESHQZUDDDZQC-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.12
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

[2-methyl-2-(2-oxopropyl)-1,3-dioxol-4-yl]methyl 2-methylprop-2-enoate
CID 164578547
benzyl 2-methylprop-2-enoate;butane
CID 174907722
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
ethyl 2-methylprop-2-enoate
CID 130475774
(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate
CID 140976676
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
azane;propyl 2-methylprop-2-enoate
CID 172812841
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate (CID 155797165) is (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1=COC(CCC)O1.
What is the InChIKey of (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate?
The InChIKey is CSESHQZUDDDZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-5-10-13-6-9(15-10)7-14-11(12)8(2)3/h6,10H,2,4-5,7H2,1,3H3.
What are the key properties of (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate?
(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 155797165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).