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

C12H23NO5 — CID 58219463

IUPACtert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
SMILESCOC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C12H23NO5/c1-10(2,3)18-9(14)13-12(15-6)7-16-11(4,5)17-8-12/h7-8H2,1-6H3,(H,13,14)
InChIKeyKESKWXPBUOWORF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds2

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

tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate (PubChem CID 58219463) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
PubChem CID58219463
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
SMILESCOC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C12H23NO5/c1-10(2,3)18-9(14)13-12(15-6)7-16-11(4,5)17-8-12/h7-8H2,1-6H3,(H,13,14)
InChIKeyKESKWXPBUOWORF-UHFFFAOYSA-N
XLogP1.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
CID 45497366
1,1-Dimethylethyl N-(5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 11514385
tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
CID 59641426
tert-butyl N-[5-(2-hydroxyethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
CID 66686229
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
Tert-butyl [2-(2-methoxyethoxy)-1,1-dimethylethyl]carbamate
CID 86645526
tert-butyl N-[1,1-diethoxy-2-(2-hydroxyethoxy)ethyl]carbamate
CID 87177971
(5-ethynyl-2,2-dimethyl-1,3-dioxan-5-yl) N-tert-butylcarbamate
CID 90113362
tert-butyl N-[2,2-dimethyl-5-(prop-2-ynoxymethyl)-1,3-dioxan-5-yl]carbamate
CID 172280952
tert-butyl N-(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 175531789
Tert-butyl [2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] carbonate
CID 102250594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate (CID 58219463) is tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate is COC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1.
What is the InChIKey of tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
The InChIKey is KESKWXPBUOWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-10(2,3)18-9(14)13-12(15-6)7-16-11(4,5)17-8-12/h7-8H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate?
tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)carbamate is sourced from PubChem (CID 58219463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).