1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate

C10H18O5 — CID 89402327

IUPAC1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
SMILESCCOC(=O)OC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-6-13-9(12)15-7(2)14-8(11)10(3,4)5/h7H,6H2,1-5H3
InChIKeyQOPFBGKQYUYCDN-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.09
Rot. Bonds3

About 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate

1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate (PubChem CID 89402327) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
PubChem CID89402327
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
SMILESCCOC(=O)OC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O5/c1-6-13-9(12)15-7(2)14-8(11)10(3,4)5/h7H,6H2,1-5H3
InChIKeyQOPFBGKQYUYCDN-UHFFFAOYSA-N
XLogP2.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
bis(1-ethoxycarbonyloxyethyl) hexanedioate
CID 87582906
ethyl butanoate;ethyl 2,2-dimethylpropanoate;ethyl propan-2-yl carbonate;methane
CID 157484734
3,3-dichlorobutan-2-yl ethyl carbonate
CID 71338645
1-ethoxycarbonyloxyethyl (2S)-2-aminopropanoate;2,2,2-trifluoroacetic acid
CID 87288485
1-[1,1-difluoroethyl(1-ethoxycarbonyloxyethoxy)phosphoryl]oxyethyl ethyl carbonate
CID 170229009
1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
CID 158576596
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
4-O-(1-ethoxycarbonyloxyethyl) 1-O-methyl but-2-enedioate
CID 72529787
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
ethyl 1-fluoroethyl carbonate
CID 11491942

Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate?
The IUPAC name of 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate (CID 89402327) is 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate is CCOC(=O)OC(C)OC(=O)C(C)(C)C.
What is the InChIKey of 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate?
The InChIKey is QOPFBGKQYUYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6-13-9(12)15-7(2)14-8(11)10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate?
1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate has a molecular weight of 218.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 89402327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).