tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate

C12H25NO5 — CID 86645492

IUPACtert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate
SMILESCOCC(COCCNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-12(2,3)18-11(14)13-6-7-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyQKSWCILMTUKRSU-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.19
Rot. Bonds8

About tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate

tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate (PubChem CID 86645492) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate
PubChem CID86645492
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nametert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate
SMILESCOCC(COCCNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-12(2,3)18-11(14)13-6-7-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyQKSWCILMTUKRSU-UHFFFAOYSA-N
XLogP1.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate (CID 86645492) is tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate is COCC(COCCNC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate?
The InChIKey is QKSWCILMTUKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-12(2,3)18-11(14)13-6-7-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate?
tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate has a molecular weight of 263.33 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-dimethoxypropoxy)ethyl]carbamate is sourced from PubChem (CID 86645492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).