ethoxy propan-2-yl carbonate

C6H12O4 — CID 21290921

IUPACethoxy propan-2-yl carbonate
SMILESCCOOC(=O)OC(C)C
InChIInChI=1S/C6H12O4/c1-4-8-10-6(7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyKOGRANUEDUUYAV-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.50
Rot. Bonds3

About ethoxy propan-2-yl carbonate

ethoxy propan-2-yl carbonate (PubChem CID 21290921) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is ethoxy propan-2-yl carbonate.

Molecular Properties

Compound Nameethoxy propan-2-yl carbonate
PubChem CID21290921
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameethoxy propan-2-yl carbonate
SMILESCCOOC(=O)OC(C)C
InChIInChI=1S/C6H12O4/c1-4-8-10-6(7)9-5(2)3/h5H,4H2,1-3H3
InChIKeyKOGRANUEDUUYAV-UHFFFAOYSA-N
XLogP1.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.50
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

carbonoperoxoyloxy propan-2-yl carbonate
CID 146240336
magnesium;ethoxy ethyl carbonate;hydride
CID 173249184
3-ethylpentan-3-yl propan-2-yl carbonate
CID 173147258
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
propane;propan-2-yl acetate
CID 23325886
ethoxymethoxy ethoxymethylperoxycarbonyloxy carbonate
CID 151893029
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
ethyl 1-propan-2-yloxyethyl carbonate
CID 118149585
2-bromoethyl propan-2-yl carbonate
CID 103970527
methane;methoxymethyl propan-2-yl carbonate
CID 158647197

Frequently Asked Questions

What is the IUPAC name of ethoxy propan-2-yl carbonate?
The IUPAC name of ethoxy propan-2-yl carbonate (CID 21290921) is ethoxy propan-2-yl carbonate.
What is the SMILES notation for ethoxy propan-2-yl carbonate?
The canonical SMILES for ethoxy propan-2-yl carbonate is CCOOC(=O)OC(C)C.
What is the InChIKey of ethoxy propan-2-yl carbonate?
The InChIKey is KOGRANUEDUUYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-4-8-10-6(7)9-5(2)3/h5H,4H2,1-3H3.
What are the key properties of ethoxy propan-2-yl carbonate?
ethoxy propan-2-yl carbonate has a molecular weight of 148.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy propan-2-yl carbonate is sourced from PubChem (CID 21290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).