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

C12H23NO4 — CID 75082333

IUPACtert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyQYLOHMMLBJJYII-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds2

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

tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (PubChem CID 75082333) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
PubChem CID75082333
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyQYLOHMMLBJJYII-UHFFFAOYSA-N
XLogP2.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139022391
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CID 134920470
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CID 132388526
CID 132388526
CID 18471710
CID 18471710
CID 44612915
CID 44612915
CID 134848783
CID 134848783
CID 134892775
CID 134892775
CID 134987252
CID 134987252
CID 134987511
CID 134987511
CID 11638445
CID 11638445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (CID 75082333) is tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The InChIKey is QYLOHMMLBJJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is sourced from PubChem (CID 75082333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).