tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

C11H21NO4 — CID 18471710

IUPACtert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-8-7-14-11(4,5)15-8/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyVJVCQQLKYWDFJB-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds2

About tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate

tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate (PubChem CID 18471710) 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-dioxolan-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
PubChem CID18471710
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-8-7-14-11(4,5)15-8/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyVJVCQQLKYWDFJB-UHFFFAOYSA-N
XLogP1.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate (CID 18471710) is tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
The InChIKey is VJVCQQLKYWDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(13)12-6-8-7-14-11(4,5)15-8/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate?
tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.66, 2 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-dioxolan-4-yl)methyl]carbamate is sourced from PubChem (CID 18471710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).