[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate

C17H26O2 — CID 171119963

IUPAC[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate
SMILESC=C/C(C)=C\C/C=C(\C)CC/C=C(/C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-19-17(5)18/h6,9-10,12H,1,7-8,11,13H2,2-5H3/b14-9-,15-10+,16-12-
InChIKeyCVZSGAMDFIAZKB-LANRBNROSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds8

About [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate

[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate (PubChem CID 171119963) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate.

Molecular Properties

Compound Name[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate
PubChem CID171119963
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate
SMILESC=C/C(C)=C\C/C=C(\C)CC/C=C(/C)COC(C)=O
InChIInChI=1S/C17H26O2/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-19-17(5)18/h6,9-10,12H,1,7-8,11,13H2,2-5H3/b14-9-,15-10+,16-12-
InChIKeyCVZSGAMDFIAZKB-LANRBNROSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate?
The IUPAC name of [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate (CID 171119963) is [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate.
What is the SMILES notation for [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate?
The canonical SMILES for [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate is C=C/C(C)=C\C/C=C(\C)CC/C=C(/C)COC(C)=O.
What is the InChIKey of [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate?
The InChIKey is CVZSGAMDFIAZKB-LANRBNROSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-19-17(5)18/h6,9-10,12H,1,7-8,11,13H2,2-5H3/b14-9-,15-10+,16-12-.
What are the key properties of [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate?
[(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate has a molecular weight of 262.39 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E,9Z)-2,6,10-trimethyldodeca-2,6,9,11-tetraenyl] acetate is sourced from PubChem (CID 171119963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).