[4-(methoxymethyl)oxan-4-yl]carbamic acid

C8H15NO4 — CID 68807128

IUPAC[4-(methoxymethyl)oxan-4-yl]carbamic acid
SMILESCOCC1(NC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO4/c1-12-6-8(9-7(10)11)2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyOGRLWJZYBLGLRS-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.45
Rot. Bonds3

About [4-(methoxymethyl)oxan-4-yl]carbamic acid

[4-(methoxymethyl)oxan-4-yl]carbamic acid (PubChem CID 68807128) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [4-(methoxymethyl)oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[4-(methoxymethyl)oxan-4-yl]carbamic acid
PubChem CID68807128
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[4-(methoxymethyl)oxan-4-yl]carbamic acid
SMILESCOCC1(NC(=O)O)CCOCC1
InChIInChI=1S/C8H15NO4/c1-12-6-8(9-7(10)11)2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyOGRLWJZYBLGLRS-UHFFFAOYSA-N
XLogP0.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)oxan-4-yl]carbamic acid?
The IUPAC name of [4-(methoxymethyl)oxan-4-yl]carbamic acid (CID 68807128) is [4-(methoxymethyl)oxan-4-yl]carbamic acid.
What is the SMILES notation for [4-(methoxymethyl)oxan-4-yl]carbamic acid?
The canonical SMILES for [4-(methoxymethyl)oxan-4-yl]carbamic acid is COCC1(NC(=O)O)CCOCC1.
What is the InChIKey of [4-(methoxymethyl)oxan-4-yl]carbamic acid?
The InChIKey is OGRLWJZYBLGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-12-6-8(9-7(10)11)2-4-13-5-3-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of [4-(methoxymethyl)oxan-4-yl]carbamic acid?
[4-(methoxymethyl)oxan-4-yl]carbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)oxan-4-yl]carbamic acid is sourced from PubChem (CID 68807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).