dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate

C16H24O6 — CID 54034753

IUPACdimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(C=C(C)CCC=C(C)C)OC1C(=O)OC
InChIInChI=1S/C16H24O6/c1-10(2)7-6-8-11(3)9-12-21-13(15(17)19-4)14(22-12)16(18)20-5/h7,9,12-14H,6,8H2,1-5H3
InChIKeyLICWGRYYYSMVBE-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.14
Rot. Bonds6

About dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate

dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 54034753) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID54034753
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Namedimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(C=C(C)CCC=C(C)C)OC1C(=O)OC
InChIInChI=1S/C16H24O6/c1-10(2)7-6-8-11(3)9-12-21-13(15(17)19-4)14(22-12)16(18)20-5/h7,9,12-14H,6,8H2,1-5H3
InChIKeyLICWGRYYYSMVBE-UHFFFAOYSA-N
XLogP2.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate (CID 54034753) is dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate is COC(=O)C1OC(C=C(C)CCC=C(C)C)OC1C(=O)OC.
What is the InChIKey of dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is LICWGRYYYSMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-10(2)7-6-8-11(3)9-12-21-13(15(17)19-4)14(22-12)16(18)20-5/h7,9,12-14H,6,8H2,1-5H3.
What are the key properties of dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate?
dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 312.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 54034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).