(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one

C20H34O — CID 162911700

IUPAC(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one
SMILESCC(C)=CCC/C(C)=C/CC(=O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,19H,7-8,11-12,14-15H2,1-6H3/b18-13+/t19-/m1/s1
InChIKeyLVZLAARESFDIRD-HJDVLLJCSA-N
MW290.49 g/mol
LogP6.41
Rot. Bonds10

About (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one

(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one (PubChem CID 162911700) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one.

Molecular Properties

Compound Name(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one
PubChem CID162911700
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one
SMILESCC(C)=CCC/C(C)=C/CC(=O)C[C@H](C)CCC=C(C)C
InChIInChI=1S/C20H34O/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,19H,7-8,11-12,14-15H2,1-6H3/b18-13+/t19-/m1/s1
InChIKeyLVZLAARESFDIRD-HJDVLLJCSA-N
XLogP6.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one?
The IUPAC name of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one (CID 162911700) is (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one.
What is the SMILES notation for (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one?
The canonical SMILES for (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one is CC(C)=CCC/C(C)=C/CC(=O)C[C@H](C)CCC=C(C)C.
What is the InChIKey of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one?
The InChIKey is LVZLAARESFDIRD-HJDVLLJCSA-N. The full InChI is InChI=1S/C20H34O/c1-16(2)9-7-11-18(5)13-14-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,19H,7-8,11-12,14-15H2,1-6H3/b18-13+/t19-/m1/s1.
What are the key properties of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one?
(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one has a molecular weight of 290.49 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-8-one is sourced from PubChem (CID 162911700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).