methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate

C12H16O6 — CID 7285381

IUPACmethyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate
SMILESCOC(=O)OC[C@@]12CC[C@@H](O1)[C@]1(C)C(=O)OC[C@H]21
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/t7-,8+,11+,12+/m0/s1
InChIKeyIFAZIEWKNBBMEJ-JTRYMVSWSA-N
MW256.25 g/mol
LogP0.88
Rot. Bonds2

About methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate

methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate (PubChem CID 7285381) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate.

Molecular Properties

Compound Namemethyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate
PubChem CID7285381
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namemethyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate
SMILESCOC(=O)OC[C@@]12CC[C@@H](O1)[C@]1(C)C(=O)OC[C@H]21
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/t7-,8+,11+,12+/m0/s1
InChIKeyIFAZIEWKNBBMEJ-JTRYMVSWSA-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

Analyze methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

(6-Methyl-5-oxo-4,10-dioxatricyclo[5.2.1.0~2,6~]dec-1-yl)methyl pivalate
CID 4135980
Methyl (6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.0~2,6~]dec-1-yl)methyl carbonate
CID 3600595
1-(1,3-Dioxolan-2-yl)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 300432
(1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl)methyl acetate
CID 297175
[3-Oxo-2-(trifluoromethyl)-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylbutanoate
CID 58676277
[3-Oxo-2-(trifluoromethyl)-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl] 2,2-dimethylbutanoate
CID 60034407
Methyl 2,3-isopropylidenedioxy-7-oxabicyclo[2.2.1]heptane-6-carboxylate
CID 14293543
Methyl (1r,2r,6s,7r,8s,9s)-9-(2-methoxy-2-oxoethyl)-4,4-dimethyl-3,5,10-trioxatricyclo[5,2,1,02,6]decane-8-carboxylate
CID 139210719
Methyl (1r,2r,6s,7r,8r,9r)-9-(2-methoxy-2-oxoethyl)-4,4-dimethyl-3,5,10-trioxatricyclo[5,2,1,02,6]decane-8-carboxylate
CID 139210720
Phytuberin lactone
CID 315115
Methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.0~1,5~]decane-6-carboxylate
CID 3600596
CID 4460107
CID 4460107

Frequently Asked Questions

What is the IUPAC name of methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate?
The IUPAC name of methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate (CID 7285381) is methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate.
What is the SMILES notation for methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate?
The canonical SMILES for methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate is COC(=O)OC[C@@]12CC[C@@H](O1)[C@]1(C)C(=O)OC[C@H]21.
What is the InChIKey of methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate?
The InChIKey is IFAZIEWKNBBMEJ-JTRYMVSWSA-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/t7-,8+,11+,12+/m0/s1.
What are the key properties of methyl [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate?
methyl [(1S,2R,6R,7R)-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 [(1S,2R,6R,7R)-6-methyl-5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl]methyl carbonate is sourced from PubChem (CID 7285381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).