[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate

C12H23NO4 — CID 123894915

IUPAC[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1(CO)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)13-10(15)17-9-12(8-14)4-6-16-7-5-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyGGHQMJQZJMCNIU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds3

About [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate

[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate (PubChem CID 123894915) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate
PubChem CID123894915
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1(CO)CCOCC1
InChIInChI=1S/C12H23NO4/c1-11(2,3)13-10(15)17-9-12(8-14)4-6-16-7-5-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKeyGGHQMJQZJMCNIU-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
[(3R,4S)-4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123515696
[4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123763164
ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 104630623
2-methylpropyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 106298579

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate (CID 123894915) is [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC1(CO)CCOCC1.
What is the InChIKey of [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate?
The InChIKey is GGHQMJQZJMCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)13-10(15)17-9-12(8-14)4-6-16-7-5-12/h14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate?
[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 123894915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).