[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate

C11H21NO4 — CID 123415309

IUPAC[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCOC1CO
InChIInChI=1S/C11H21NO4/c1-11(2,3)12-10(14)16-8-5-4-6-15-9(8)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyZRVSSIUAAOVLIE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.05
Rot. Bonds2

About [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate

[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate (PubChem CID 123415309) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
PubChem CID123415309
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCCOC1CO
InChIInChI=1S/C11H21NO4/c1-11(2,3)12-10(14)16-8-5-4-6-15-9(8)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyZRVSSIUAAOVLIE-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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Related Compounds

[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
1-hydroxyhexan-2-yl N-tert-butylcarbamate
CID 87467819
2-hydroxyhexyl N-tert-butylcarbamate
CID 87467821
6-hydroxyhexan-3-yl N-tert-butylcarbamate
CID 87693864
4-hydroxyhexyl N-tert-butylcarbamate
CID 87693865
[(5S)-5-(hydroxymethyl)oxan-2-yl]methyl N-tert-butylcarbamate
CID 90728086
2-(1-hydroxy-3-methoxypropan-2-yl)oxyethyl N-tert-butylcarbamate
CID 90811651
2-(1,3-dihydroxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 91060527
[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
2-(2,3-dihydroxypropoxy)ethyl N-tert-butylcarbamate
CID 91527103
[(2R)-1-hydroxyhexan-2-yl] N-tert-butylcarbamate
CID 123431687

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate?
The IUPAC name of [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate (CID 123415309) is [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCCOC1CO.
What is the InChIKey of [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate?
The InChIKey is ZRVSSIUAAOVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)12-10(14)16-8-5-4-6-15-9(8)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate?
[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate 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 [2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123415309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).