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

C11H21NO4 — CID 67114425

IUPACtert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(8-13)4-6-15-7-5-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKeyQNPYJTQBCNHGDM-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.05
Rot. Bonds2

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

tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 67114425) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID67114425
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(8-13)4-6-15-7-5-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKeyQNPYJTQBCNHGDM-UHFFFAOYSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 67114425) is tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is CC(C)(C)OC(=O)NC1(CO)CCOCC1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is QNPYJTQBCNHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(8-13)4-6-15-7-5-11/h13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 231.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 67114425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).