2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate

C12H25NO5 — CID 90844150

IUPAC2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
SMILESCOCC(COCCOC(=O)NC(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-12(2,3)13-11(14)18-7-6-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyXVCXPHHUKJRRDU-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.19
Rot. Bonds8

About 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate

2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate (PubChem CID 90844150) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
PubChem CID90844150
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
SMILESCOCC(COCCOC(=O)NC(C)(C)C)OC
InChIInChI=1S/C12H25NO5/c1-12(2,3)13-11(14)18-7-6-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyXVCXPHHUKJRRDU-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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Related Compounds

[(2S)-1-(difluoromethoxy)propan-2-yl] N-tert-butylcarbamate
CID 157856930
[(2S)-2-(difluoromethoxy)propyl] N-tert-butylcarbamate
CID 175432714
[(2S)-1-(trifluoromethoxy)propan-2-yl] N-tert-butylcarbamate
CID 175571914
oxolan-3-yl N-tert-butylcarbamate
CID 20765341
propan-2-yl N-tert-butylcarbamate
CID 58798528
2-methoxyethyl N-tert-butylcarbamate
CID 59083138
[(3S)-oxolan-3-yl] N-tert-butylcarbamate
CID 59990336
Tert-butyl [2-(2-methoxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645526
2-(2-hydroxyethoxy)ethyl N-tert-butylcarbamate
CID 87194647
oxiran-2-ylmethyl N-tert-butylcarbamate
CID 87453894
3-(2,2-dimethylpropoxy)propyl N-tert-butylcarbamate
CID 89878612
2-hydroxypropyl N-tert-butylcarbamate
CID 90220528

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate (CID 90844150) is 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate is COCC(COCCOC(=O)NC(C)(C)C)OC.
What is the InChIKey of 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate?
The InChIKey is XVCXPHHUKJRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-12(2,3)13-11(14)18-7-6-17-9-10(16-5)8-15-4/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate?
2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate 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 2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90844150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).