1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate

C8H14O5 — CID 19964872

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl formate
SMILESCC(OC=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O5/c1-6(11-5-9)12-7(10)13-8(2,3)4/h5-6H,1-4H3
InChIKeyBYYFNDMTWMXGNU-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.90
Rot. Bonds6

About 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate

1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate (PubChem CID 19964872) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl formate.

Molecular Properties

Compound Name1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate
PubChem CID19964872
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl formate
SMILESCC(OC=O)OC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O5/c1-6(11-5-9)12-7(10)13-8(2,3)4/h5-6H,1-4H3
InChIKeyBYYFNDMTWMXGNU-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate?
The IUPAC name of 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate (CID 19964872) is 1-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl formate.
What is the SMILES notation for 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate?
The canonical SMILES for 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate is CC(OC=O)OC(=O)OC(C)(C)C.
What is the InChIKey of 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate?
The InChIKey is BYYFNDMTWMXGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-6(11-5-9)12-7(10)13-8(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate?
1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate has a molecular weight of 190.19 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-Methylpropan-2-yl)oxycarbonyloxy]ethyl formate is sourced from PubChem (CID 19964872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).