CID 132916386

C6H7O4 — CID 132916386

IUPAC—
SMILESCOC(=O)OC1C=C[CH]O1
InChIInChI=1S/C6H7O4/c1-8-6(7)10-5-3-2-4-9-5/h2-5H,1H3
InChIKeyVPTDJSVQGOTIQY-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.84
Rot. Bonds1

About CID 132916386

CID 132916386 (PubChem CID 132916386) has the molecular formula C6H7O4 and a molecular weight of 143.12 g/mol.

Molecular Properties

Compound NameCID 132916386
PubChem CID132916386
Molecular FormulaC6H7O4
Molecular Weight143.12 g/mol
Exact Mass143.03
IUPAC Name—
SMILESCOC(=O)OC1C=C[CH]O1
InChIInChI=1S/C6H7O4/c1-8-6(7)10-5-3-2-4-9-5/h2-5H,1H3
InChIKeyVPTDJSVQGOTIQY-UHFFFAOYSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
CID 102401861
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
2-(2H-pyran-2-yloxy)propanamide
CID 150323582
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
dimethyl carbonate;ethane
CID 160632176
[(1S,6R)-6-(methoxycarbonyloxymethyl)cyclohexa-2,4-dien-1-yl]methyl methyl carbonate
CID 102174480
2-bicyclo[2.2.1]hept-5-enyl methyl carbonate
CID 19379180
[(6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
CID 130245409
5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
CID 123660264
2H-oxet-2-yl 2-methylprop-2-enoate
CID 172735399

Frequently Asked Questions

What is the IUPAC name of CID 132916386?
The IUPAC name of CID 132916386 (CID 132916386) is not available.
What is the SMILES notation for CID 132916386?
The canonical SMILES for CID 132916386 is COC(=O)OC1C=C[CH]O1.
What is the InChIKey of CID 132916386?
The InChIKey is VPTDJSVQGOTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O4/c1-8-6(7)10-5-3-2-4-9-5/h2-5H,1H3.
What are the key properties of CID 132916386?
CID 132916386 has a molecular weight of 143.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132916386 is sourced from PubChem (CID 132916386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).