methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate

C10H14O6 — CID 134867325

IUPACmethyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
SMILESCOC(=O)OC1CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H14O6/c1-13-9(12)16-8-6-10(3-2-7(8)11)14-4-5-15-10/h8H,2-6H2,1H3
InChIKeyGGTVZEPKZONDRA-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.63
Rot. Bonds1

About methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate

methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate (PubChem CID 134867325) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate.

Molecular Properties

Compound Namemethyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
PubChem CID134867325
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namemethyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
SMILESCOC(=O)OC1CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H14O6/c1-13-9(12)16-8-6-10(3-2-7(8)11)14-4-5-15-10/h8H,2-6H2,1H3
InChIKeyGGTVZEPKZONDRA-UHFFFAOYSA-N
XLogP0.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate?
The IUPAC name of methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate (CID 134867325) is methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate.
What is the SMILES notation for methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate?
The canonical SMILES for methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate is COC(=O)OC1CC2(CCC1=O)OCCO2.
What is the InChIKey of methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate?
The InChIKey is GGTVZEPKZONDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-13-9(12)16-8-6-10(3-2-7(8)11)14-4-5-15-10/h8H,2-6H2,1H3.
What are the key properties of methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate?
methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate has a molecular weight of 230.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate is sourced from PubChem (CID 134867325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).