propan-2-yl propan-2-yloxy carbonate

C7H14O4 — CID 10219584

IUPACpropan-2-yl propan-2-yloxy carbonate
SMILESCC(C)OOC(=O)OC(C)C
InChIInChI=1S/C7H14O4/c1-5(2)9-7(8)11-10-6(3)4/h5-6H,1-4H3
InChIKeyRGBXDEHYFWDBKD-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.89
Rot. Bonds3

About propan-2-yl propan-2-yloxy carbonate

propan-2-yl propan-2-yloxy carbonate (PubChem CID 10219584) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is propan-2-yl propan-2-yloxy carbonate.

Molecular Properties

Compound Namepropan-2-yl propan-2-yloxy carbonate
PubChem CID10219584
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Namepropan-2-yl propan-2-yloxy carbonate
SMILESCC(C)OOC(=O)OC(C)C
InChIInChI=1S/C7H14O4/c1-5(2)9-7(8)11-10-6(3)4/h5-6H,1-4H3
InChIKeyRGBXDEHYFWDBKD-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.89
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

CID 7769
CID 7769
CID 75406
CID 75406
CID 85264
CID 85264
CID 89245
CID 89245
CID 536818
CID 536818
CID 174128
CID 174128
CID 61756
CID 61756
CID 7021530
CID 7021530
CID 11183557
CID 11183557
CID 14833043
CID 14833043
CID 12953231
CID 12953231
CID 275736
CID 275736

Frequently Asked Questions

What is the IUPAC name of propan-2-yl propan-2-yloxy carbonate?
The IUPAC name of propan-2-yl propan-2-yloxy carbonate (CID 10219584) is propan-2-yl propan-2-yloxy carbonate.
What is the SMILES notation for propan-2-yl propan-2-yloxy carbonate?
The canonical SMILES for propan-2-yl propan-2-yloxy carbonate is CC(C)OOC(=O)OC(C)C.
What is the InChIKey of propan-2-yl propan-2-yloxy carbonate?
The InChIKey is RGBXDEHYFWDBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(2)9-7(8)11-10-6(3)4/h5-6H,1-4H3.
What are the key properties of propan-2-yl propan-2-yloxy carbonate?
propan-2-yl propan-2-yloxy carbonate has a molecular weight of 162.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl propan-2-yloxy carbonate is sourced from PubChem (CID 10219584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).