2-methylpropyl propan-2-yloxy carbonate

C8H16O4 — CID 150489292

IUPAC2-methylpropyl propan-2-yloxy carbonate
SMILESCC(C)COC(=O)OOC(C)C
InChIInChI=1S/C8H16O4/c1-6(2)5-10-8(9)12-11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyHVLPBONRBPKMRD-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.14
Rot. Bonds4

About 2-methylpropyl propan-2-yloxy carbonate

2-methylpropyl propan-2-yloxy carbonate (PubChem CID 150489292) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-methylpropyl propan-2-yloxy carbonate.

Molecular Properties

Compound Name2-methylpropyl propan-2-yloxy carbonate
PubChem CID150489292
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-methylpropyl propan-2-yloxy carbonate
SMILESCC(C)COC(=O)OOC(C)C
InChIInChI=1S/C8H16O4/c1-6(2)5-10-8(9)12-11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyHVLPBONRBPKMRD-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy 2-methylpropyl carbonate
CID 140981524
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-methylpropyl prop-2-enyl carbonate
CID 6420250
pentyl propan-2-yloxy carbonate
CID 142700968
2-methylpropoxycarbonyl 2,2-dimethylpropanoate
CID 131856806
[2,5-dimethyl-5-(2-methylpropoxycarbonyloxyperoxy)hexan-2-yl]peroxy 2-methylpropyl carbonate
CID 21195091
[2,5-dimethyl-4-(2-methylpropoxycarbonyloxy)hexan-3-yl] 2-methylpropyl carbonate
CID 88596961
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
CID 136863386
CID 136863386
2-methylpropyl acetate;hydrate
CID 86585368
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium
CID 88861451

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl propan-2-yloxy carbonate?
The IUPAC name of 2-methylpropyl propan-2-yloxy carbonate (CID 150489292) is 2-methylpropyl propan-2-yloxy carbonate.
What is the SMILES notation for 2-methylpropyl propan-2-yloxy carbonate?
The canonical SMILES for 2-methylpropyl propan-2-yloxy carbonate is CC(C)COC(=O)OOC(C)C.
What is the InChIKey of 2-methylpropyl propan-2-yloxy carbonate?
The InChIKey is HVLPBONRBPKMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-6(2)5-10-8(9)12-11-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methylpropyl propan-2-yloxy carbonate?
2-methylpropyl propan-2-yloxy carbonate has a molecular weight of 176.21 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl propan-2-yloxy carbonate is sourced from PubChem (CID 150489292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).