2-methylbutan-2-yloxy formate

C6H12O3 — CID 91293053

IUPAC2-methylbutan-2-yloxy formate
SMILESCCC(C)(C)OOC=O
InChIInChI=1S/C6H12O3/c1-4-6(2,3)9-8-5-7/h5H,4H2,1-3H3
InChIKeyNGNZTMMFPSRPCF-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.28
Rot. Bonds4

About 2-methylbutan-2-yloxy formate

2-methylbutan-2-yloxy formate (PubChem CID 91293053) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methylbutan-2-yloxy formate.

Molecular Properties

Compound Name2-methylbutan-2-yloxy formate
PubChem CID91293053
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-methylbutan-2-yloxy formate
SMILESCCC(C)(C)OOC=O
InChIInChI=1S/C6H12O3/c1-4-6(2,3)9-8-5-7/h5H,4H2,1-3H3
InChIKeyNGNZTMMFPSRPCF-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yloxy formate?
The IUPAC name of 2-methylbutan-2-yloxy formate (CID 91293053) is 2-methylbutan-2-yloxy formate.
What is the SMILES notation for 2-methylbutan-2-yloxy formate?
The canonical SMILES for 2-methylbutan-2-yloxy formate is CCC(C)(C)OOC=O.
What is the InChIKey of 2-methylbutan-2-yloxy formate?
The InChIKey is NGNZTMMFPSRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-6(2,3)9-8-5-7/h5H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-yloxy formate?
2-methylbutan-2-yloxy formate has a molecular weight of 132.16 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yloxy formate is sourced from PubChem (CID 91293053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).