methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate

C11H18O5 — CID 10014068

IUPACmethyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate
SMILESC=CC1(COCC(=O)OC)COC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-5-11(7-14-6-9(12)13-4)8-15-10(2,3)16-11/h5H,1,6-8H2,2-4H3
InChIKeyFOCBNQXSXRTPMU-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.88
Rot. Bonds5

About methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate

methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate (PubChem CID 10014068) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate
PubChem CID10014068
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namemethyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate
SMILESC=CC1(COCC(=O)OC)COC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-5-11(7-14-6-9(12)13-4)8-15-10(2,3)16-11/h5H,1,6-8H2,2-4H3
InChIKeyFOCBNQXSXRTPMU-UHFFFAOYSA-N
XLogP0.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381473
tert-butyl 2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381474
(4R)-4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 49837106
Methyl 4-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10397529
4-Ethenyl-4-(ethoxymethyl)-1,3-dioxolan-2-one
CID 18353943
(4-Ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enoate
CID 70213115
tert-butyl 2-[(Z)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 90334058
tert-butyl 2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 123996469
3-(1-Ethoxyethoxy)-3-methylfuran-2-one
CID 140344433
(4-Methyl-5-methylidene-2-oxo-1,3-dioxolan-4-yl)methyl but-3-enoate
CID 158058157
2-[(4-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid
CID 10104734
2-[(4-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetaldehyde
CID 10420317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate?
The IUPAC name of methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate (CID 10014068) is methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate.
What is the SMILES notation for methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate?
The canonical SMILES for methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate is C=CC1(COCC(=O)OC)COC(C)(C)O1.
What is the InChIKey of methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate?
The InChIKey is FOCBNQXSXRTPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-11(7-14-6-9(12)13-4)8-15-10(2,3)16-11/h5H,1,6-8H2,2-4H3.
What are the key properties of methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate?
methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate has a molecular weight of 230.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetate is sourced from PubChem (CID 10014068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).