2-prop-2-enoxyethyl 2,2-dimethylpropanoate

C10H18O3 — CID 89277080

IUPAC2-prop-2-enoxyethyl 2,2-dimethylpropanoate
SMILESC=CCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-6-12-7-8-13-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyDFFDRTIBXDWAQK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.78
Rot. Bonds5

About 2-prop-2-enoxyethyl 2,2-dimethylpropanoate

2-prop-2-enoxyethyl 2,2-dimethylpropanoate (PubChem CID 89277080) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 2,2-dimethylpropanoate
PubChem CID89277080
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-prop-2-enoxyethyl 2,2-dimethylpropanoate
SMILESC=CCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O3/c1-5-6-12-7-8-13-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyDFFDRTIBXDWAQK-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 58205656
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 89235047
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate
CID 123591285
2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-prop-2-enoxyethyl 2,2-dimethylpropanoate (CID 89277080) is 2-prop-2-enoxyethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-prop-2-enoxyethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-prop-2-enoxyethyl 2,2-dimethylpropanoate is C=CCOCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-prop-2-enoxyethyl 2,2-dimethylpropanoate?
The InChIKey is DFFDRTIBXDWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-12-7-8-13-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-prop-2-enoxyethyl 2,2-dimethylpropanoate?
2-prop-2-enoxyethyl 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 89277080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).