1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate

C14H27NO4 — CID 87848088

IUPAC1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
SMILESCCN(CC)C(=O)OC(C)OC(=O)C(C)(C)C(C)C
InChIInChI=1S/C14H27NO4/c1-8-15(9-2)13(17)19-11(5)18-12(16)14(6,7)10(3)4/h10-11H,8-9H2,1-7H3
InChIKeyOWVQMTVSOVXXDK-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.04
Rot. Bonds6

About 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate

1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate (PubChem CID 87848088) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
PubChem CID87848088
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate
SMILESCCN(CC)C(=O)OC(C)OC(=O)C(C)(C)C(C)C
InChIInChI=1S/C14H27NO4/c1-8-15(9-2)13(17)19-11(5)18-12(16)14(6,7)10(3)4/h10-11H,8-9H2,1-7H3
InChIKeyOWVQMTVSOVXXDK-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate?
The IUPAC name of 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate (CID 87848088) is 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate.
What is the SMILES notation for 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate?
The canonical SMILES for 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate is CCN(CC)C(=O)OC(C)OC(=O)C(C)(C)C(C)C.
What is the InChIKey of 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate?
The InChIKey is OWVQMTVSOVXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-8-15(9-2)13(17)19-11(5)18-12(16)14(6,7)10(3)4/h10-11H,8-9H2,1-7H3.
What are the key properties of 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate?
1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate has a molecular weight of 273.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylcarbamoyloxy)ethyl 2,2,3-trimethylbutanoate is sourced from PubChem (CID 87848088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).