2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate

C13H27NO6 — CID 129320050

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCOCCOCCO
InChIInChI=1S/C13H27NO6/c1-13(2,3)14-12(16)20-11-10-19-9-8-18-7-6-17-5-4-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyBZTJGKNVYBLXCX-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.55
Rot. Bonds11

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate (PubChem CID 129320050) has the molecular formula C13H27NO6 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
PubChem CID129320050
Molecular FormulaC13H27NO6
Molecular Weight293.36 g/mol
Exact Mass293.18
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCOCCOCCO
InChIInChI=1S/C13H27NO6/c1-13(2,3)14-12(16)20-11-10-19-9-8-18-7-6-17-5-4-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyBZTJGKNVYBLXCX-UHFFFAOYSA-N
XLogP0.55
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
N-tert-butyl-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 146605936
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
1-(2-hydroxyethoxy)pentan-3-yl N-tert-butylcarbamate
CID 175090573
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate (CID 129320050) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The InChIKey is BZTJGKNVYBLXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO6/c1-13(2,3)14-12(16)20-11-10-19-9-8-18-7-6-17-5-4-15/h15H,4-11H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate has a molecular weight of 293.36 g/mol, XLogP of 0.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 129320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).