tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate

C12H23NO4 — CID 90902949

IUPACtert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyBFWANKBLVGTZNC-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate

tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate (PubChem CID 90902949) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate
PubChem CID90902949
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate
SMILESCOCC1(NC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyBFWANKBLVGTZNC-UHFFFAOYSA-N
XLogP1.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate (CID 90902949) is tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate is COCC1(NC(=O)OC(C)(C)C)CCOCC1.
What is the InChIKey of tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate?
The InChIKey is BFWANKBLVGTZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-12(9-15-4)5-7-16-8-6-12/h5-9H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate?
tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(methoxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 90902949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).