[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate

C10H12O6 — CID 102401861

IUPAC[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1C=CC=C[C@H]1OC(=O)OC
InChIInChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-8H,1-2H3/t7-,8+
InChIKeyZLQMVLCFBRDEPB-OCAPTIKFSA-N
MW228.20 g/mol
LogP1.42
Rot. Bonds2

About [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate

[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate (PubChem CID 102401861) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
PubChem CID102401861
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1C=CC=C[C@H]1OC(=O)OC
InChIInChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-8H,1-2H3/t7-,8+
InChIKeyZLQMVLCFBRDEPB-OCAPTIKFSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate?
The IUPAC name of [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate (CID 102401861) is [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate.
What is the SMILES notation for [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate?
The canonical SMILES for [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate is COC(=O)O[C@H]1C=CC=C[C@H]1OC(=O)OC.
What is the InChIKey of [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate?
The InChIKey is ZLQMVLCFBRDEPB-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H12O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-8H,1-2H3/t7-,8+.
What are the key properties of [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate?
[(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate has a molecular weight of 228.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl] methyl carbonate is sourced from PubChem (CID 102401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).