(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate

C11H18O3 — CID 163450308

IUPAC(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(C)(C)C1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)13-6-9-5-11(3,4)14-7-9/h9H,1,5-7H2,2-4H3
InChIKeyBGAOOCLLUUUDBB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds3

About (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate

(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 163450308) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
PubChem CID163450308
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(C)(C)C1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)13-6-9-5-11(3,4)14-7-9/h9H,1,5-7H2,2-4H3
InChIKeyBGAOOCLLUUUDBB-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
CID 59256267
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate (CID 163450308) is (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1COC(C)(C)C1.
What is the InChIKey of (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is BGAOOCLLUUUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)10(12)13-6-9-5-11(3,4)14-7-9/h9H,1,5-7H2,2-4H3.
What are the key properties of (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate?
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 163450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).