(2-methylpropan-2-yl)oxymethyl carbamate

C6H13NO3 — CID 122482739

IUPAC(2-methylpropan-2-yl)oxymethyl carbamate
SMILESCC(C)(C)OCOC(N)=O
InChIInChI=1S/C6H13NO3/c1-6(2,3)10-4-9-5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyOLHJPXGERZUQCP-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.85
Rot. Bonds2

About (2-methylpropan-2-yl)oxymethyl carbamate

(2-methylpropan-2-yl)oxymethyl carbamate (PubChem CID 122482739) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethyl carbamate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethyl carbamate
PubChem CID122482739
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2-methylpropan-2-yl)oxymethyl carbamate
SMILESCC(C)(C)OCOC(N)=O
InChIInChI=1S/C6H13NO3/c1-6(2,3)10-4-9-5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKeyOLHJPXGERZUQCP-UHFFFAOYSA-N
XLogP0.85
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethyl carbamate?
The IUPAC name of (2-methylpropan-2-yl)oxymethyl carbamate (CID 122482739) is (2-methylpropan-2-yl)oxymethyl carbamate.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethyl carbamate?
The canonical SMILES for (2-methylpropan-2-yl)oxymethyl carbamate is CC(C)(C)OCOC(N)=O.
What is the InChIKey of (2-methylpropan-2-yl)oxymethyl carbamate?
The InChIKey is OLHJPXGERZUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,3)10-4-9-5(7)8/h4H2,1-3H3,(H2,7,8).
What are the key properties of (2-methylpropan-2-yl)oxymethyl carbamate?
(2-methylpropan-2-yl)oxymethyl carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethyl carbamate is sourced from PubChem (CID 122482739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).