tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate

C11H21NO4 — CID 68605714

IUPACtert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC(C)(C)OC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-14-11(4,5)15-7-8/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyLDUSAWTYDYFOKP-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds1

About tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate

tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate (PubChem CID 68605714) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
PubChem CID68605714
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1COC(C)(C)OC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-14-11(4,5)15-7-8/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyLDUSAWTYDYFOKP-UHFFFAOYSA-N
XLogP1.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
CID 175877569
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
methyl 2-[(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]acetate
CID 102166668
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-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
CID 58959909
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate (CID 68605714) is tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate is CC(C)(C)OC(=O)NC1COC(C)(C)OC1.
What is the InChIKey of tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The InChIKey is LDUSAWTYDYFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-8-6-14-11(4,5)15-7-8/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate is sourced from PubChem (CID 68605714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).