3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate

C22H38O2 — CID 56618694

IUPAC3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate
SMILESCC(=O)OCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C22H38O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,21H,7-9,11,13,15-17H2,1-6H3
InChIKeyVBKYATCSYDLRJR-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.78
Rot. Bonds12

About 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate

3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate (PubChem CID 56618694) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate
PubChem CID56618694
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate
SMILESCC(=O)OCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C22H38O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,21H,7-9,11,13,15-17H2,1-6H3
InChIKeyVBKYATCSYDLRJR-UHFFFAOYSA-N
XLogP6.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.78
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 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate (CID 56618694) is 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate is CC(=O)OCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate?
The InChIKey is VBKYATCSYDLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,21H,7-9,11,13,15-17H2,1-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate?
3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate has a molecular weight of 334.54 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-6,10,14-trienyl acetate is sourced from PubChem (CID 56618694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).