tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate

C13H23NO5 — CID 175877569

IUPACtert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CCOCC2)OC1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(15)14-10-8-17-13(18-9-10)4-6-16-7-5-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOUJVXXOIHTVQEX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate

tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate (PubChem CID 175877569) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
PubChem CID175877569
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC2(CCOCC2)OC1
InChIInChI=1S/C13H23NO5/c1-12(2,3)19-11(15)14-10-8-17-13(18-9-10)4-6-16-7-5-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOUJVXXOIHTVQEX-UHFFFAOYSA-N
XLogP1.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5,9-trioxaspiro[5.5]undecane-4-carboxylic acid
CID 168798208
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 155893866
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate (CID 175877569) is tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate is CC(C)(C)OC(=O)NC1COC2(CCOCC2)OC1.
What is the InChIKey of tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate?
The InChIKey is OUJVXXOIHTVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)19-11(15)14-10-8-17-13(18-9-10)4-6-16-7-5-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate?
tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate has a molecular weight of 273.33 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate is sourced from PubChem (CID 175877569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).