[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate

C22H36O2 — CID 11716974

IUPAC[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate
SMILESC=CC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C22H36O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,12,14,16H,1,9-11,13,15,17H2,2-7H3/b19-14+,20-16+
InChIKeyIIVDTOMCQUACDS-XHGFWWIISA-N
MW332.53 g/mol
LogP6.69
Rot. Bonds11

About [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate

[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate (PubChem CID 11716974) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate.

Molecular Properties

Compound Name[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate
PubChem CID11716974
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate
SMILESC=CC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C22H36O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,12,14,16H,1,9-11,13,15,17H2,2-7H3/b19-14+,20-16+
InChIKeyIIVDTOMCQUACDS-XHGFWWIISA-N
XLogP6.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate?
The IUPAC name of [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate (CID 11716974) is [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate.
What is the SMILES notation for [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate?
The canonical SMILES for [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate is C=CC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O.
What is the InChIKey of [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate?
The InChIKey is IIVDTOMCQUACDS-XHGFWWIISA-N. The full InChI is InChI=1S/C22H36O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,12,14,16H,1,9-11,13,15,17H2,2-7H3/b19-14+,20-16+.
What are the key properties of [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate?
[(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate has a molecular weight of 332.53 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-yl] acetate is sourced from PubChem (CID 11716974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).