methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate

C12H16O6 — CID 3600595

IUPACmethyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate
SMILESCOC(=O)OCC12CCC(O1)C1(C)C(=O)OCC21
InChIInChI=1S/C12H16O6/c1-11-7(5-16-9(11)13)12(4-3-8(11)18-12)6-17-10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyIFAZIEWKNBBMEJ-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.88
Rot. Bonds2

About methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate

methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate (PubChem CID 3600595) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate
PubChem CID3600595
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namemethyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate
SMILESCOC(=O)OCC12CCC(O1)C1(C)C(=O)OCC21
InChIInChI=1S/C12H16O6/c1-11-7(5-16-9(11)13)12(4-3-8(11)18-12)6-17-10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyIFAZIEWKNBBMEJ-UHFFFAOYSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate?
The IUPAC name of methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate (CID 3600595) is methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate.
What is the SMILES notation for methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate?
The canonical SMILES for methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate is COC(=O)OCC12CCC(O1)C1(C)C(=O)OCC21.
What is the InChIKey of methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate?
The InChIKey is IFAZIEWKNBBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-11-7(5-16-9(11)13)12(4-3-8(11)18-12)6-17-10(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate?
methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate has a molecular weight of 256.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl)methyl carbonate is sourced from PubChem (CID 3600595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).