2-ethenoxyethyl 2,2-dimethylbutanoate

C10H18O3 — CID 21026949

IUPAC2-ethenoxyethyl 2,2-dimethylbutanoate
SMILESC=COCCOC(=O)C(C)(C)CC
InChIInChI=1S/C10H18O3/c1-5-10(3,4)9(11)13-8-7-12-6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyYNICJUSVUSQAGZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.13
Rot. Bonds6

About 2-ethenoxyethyl 2,2-dimethylbutanoate

2-ethenoxyethyl 2,2-dimethylbutanoate (PubChem CID 21026949) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethenoxyethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-ethenoxyethyl 2,2-dimethylbutanoate
PubChem CID21026949
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethenoxyethyl 2,2-dimethylbutanoate
SMILESC=COCCOC(=O)C(C)(C)CC
InChIInChI=1S/C10H18O3/c1-5-10(3,4)9(11)13-8-7-12-6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyYNICJUSVUSQAGZ-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enylperoxyethyl 2,2-dimethylbutanoate
CID 58716051
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
3-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 23396729
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
3-formyloxypropyl 2,2-dimethylbutanoate
CID 88578941
2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate;2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 161211037
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2-dimethylbutanoate
CID 87414406
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
2-(2-methylprop-2-enylperoxy)ethyl 2,2-dimethylbutanoate
CID 20815860

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-ethenoxyethyl 2,2-dimethylbutanoate (CID 21026949) is 2-ethenoxyethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-ethenoxyethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-ethenoxyethyl 2,2-dimethylbutanoate is C=COCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-ethenoxyethyl 2,2-dimethylbutanoate?
The InChIKey is YNICJUSVUSQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-10(3,4)9(11)13-8-7-12-6-2/h6H,2,5,7-8H2,1,3-4H3.
What are the key properties of 2-ethenoxyethyl 2,2-dimethylbutanoate?
2-ethenoxyethyl 2,2-dimethylbutanoate has a molecular weight of 186.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 21026949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).