ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate

C9H17NO4 — CID 104630623

IUPACethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCCOC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C9H17NO4/c1-2-14-8(12)10-9(7-11)3-5-13-6-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyOYNJQNFGHBTJHO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.27
Rot. Bonds3

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

ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (PubChem CID 104630623) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
PubChem CID104630623
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
SMILESCCOC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C9H17NO4/c1-2-14-8(12)10-9(7-11)3-5-13-6-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyOYNJQNFGHBTJHO-UHFFFAOYSA-N
XLogP0.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
CID 67114425
[4-(2-hydroxyethyl)tetrahydro-2H-pyran-4-yl]carbamic acid tert-butyl ester
CID 67123391
Tert-butyl-[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 67224559
[4-(Hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
[4-(Methoxymethyl)oxan-4-yl]carbamic acid
CID 68807128
[4-(1-Hydroxyethyl)oxan-4-yl]carbamic acid
CID 70662666
[4-(2-Hydroxyethyl)oxan-4-yl]carbamic acid
CID 70662667
N-t-butyl-(4-hydroxymethyl-tetrahydro-pyran-4-yl)-carbamate
CID 86619945
tert-butyl N-[3-butoxy-1-(hydroxymethyl)cyclobutyl]carbamate
CID 90323048
tert-butyl[4-(methoxymethyl)tetrahydro-2H-pyran-4-yl]carbamate
CID 90902949
[4-(hydroxymethyl)oxan-4-yl]methyl N-tert-butylcarbamate
CID 123894915
tert-butyl N-[4-[cyano(hydroxy)methyl]oxan-4-yl]carbamate
CID 141725593

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The IUPAC name of ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate (CID 104630623) is ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The canonical SMILES for ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is CCOC(=O)NC1(CO)CCOCC1.
What is the InChIKey of ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
The InChIKey is OYNJQNFGHBTJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-14-8(12)10-9(7-11)3-5-13-6-4-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate?
ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate is sourced from PubChem (CID 104630623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).