dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate

C16H26O6 — CID 615335

IUPACdimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)C1OC2(CC(C)CCC2C(C)C)OC1C(=O)OC
InChIInChI=1S/C16H26O6/c1-9(2)11-7-6-10(3)8-16(11)21-12(14(17)19-4)13(22-16)15(18)20-5/h9-13H,6-8H2,1-5H3
InChIKeyHSQZKLGIXGEDDA-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.90
Rot. Bonds3

About dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate

dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate (PubChem CID 615335) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
PubChem CID615335
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Namedimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)C1OC2(CC(C)CCC2C(C)C)OC1C(=O)OC
InChIInChI=1S/C16H26O6/c1-9(2)11-7-6-10(3)8-16(11)21-12(14(17)19-4)13(22-16)15(18)20-5/h9-13H,6-8H2,1-5H3
InChIKeyHSQZKLGIXGEDDA-UHFFFAOYSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The IUPAC name of dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate (CID 615335) is dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The canonical SMILES for dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate is COC(=O)C1OC2(CC(C)CCC2C(C)C)OC1C(=O)OC.
What is the InChIKey of dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate?
The InChIKey is HSQZKLGIXGEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-9(2)11-7-6-10(3)8-16(11)21-12(14(17)19-4)13(22-16)15(18)20-5/h9-13H,6-8H2,1-5H3.
What are the key properties of dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate?
dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate is sourced from PubChem (CID 615335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).