[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate

C12H20O3 — CID 11085115

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H20O3/c1-10(2)6-5-7-11(3)8-9-15-12(13)14-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKeyVOYXSBXHDSOXLX-FLIBITNWSA-N
MW212.29 g/mol
LogP3.46
Rot. Bonds5

About [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate

[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate (PubChem CID 11085115) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate
PubChem CID11085115
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate
SMILESCOC(=O)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C12H20O3/c1-10(2)6-5-7-11(3)8-9-15-12(13)14-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKeyVOYXSBXHDSOXLX-FLIBITNWSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate (CID 11085115) is [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate is COC(=O)OC/C=C(/C)CCC=C(C)C.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate?
The InChIKey is VOYXSBXHDSOXLX-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)6-5-7-11(3)8-9-15-12(13)14-4/h6,8H,5,7,9H2,1-4H3/b11-8-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] methyl carbonate is sourced from PubChem (CID 11085115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).