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

C20H36O — CID 162980236

IUPAC(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol
SMILESCC(C)=CCC/C(C)=C/CCC[C@@](C)(O)CCC=C(C)C
InChIInChI=1S/C20H36O/c1-17(2)11-9-14-19(5)13-7-8-15-20(6,21)16-10-12-18(3)4/h11-13,21H,7-10,14-16H2,1-6H3/b19-13+/t20-/m1/s1
InChIKeyCCCXGQLQJHWTLZ-UMSHPIDHSA-N
MW292.51 g/mol
LogP6.35
Rot. Bonds10

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

(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol (PubChem CID 162980236) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol.

Molecular Properties

Compound Name(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol
PubChem CID162980236
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol
SMILESCC(C)=CCC/C(C)=C/CCC[C@@](C)(O)CCC=C(C)C
InChIInChI=1S/C20H36O/c1-17(2)11-9-14-19(5)13-7-8-15-20(6,21)16-10-12-18(3)4/h11-13,21H,7-10,14-16H2,1-6H3/b19-13+/t20-/m1/s1
InChIKeyCCCXGQLQJHWTLZ-UMSHPIDHSA-N
XLogP6.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-6-ol?
The IUPAC name of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol (CID 162980236) is (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol.
What is the SMILES notation for (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol?
The canonical SMILES for (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol is CC(C)=CCC/C(C)=C/CCC[C@@](C)(O)CCC=C(C)C.
What is the InChIKey of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol?
The InChIKey is CCCXGQLQJHWTLZ-UMSHPIDHSA-N. The full InChI is InChI=1S/C20H36O/c1-17(2)11-9-14-19(5)13-7-8-15-20(6,21)16-10-12-18(3)4/h11-13,21H,7-10,14-16H2,1-6H3/b19-13+/t20-/m1/s1.
What are the key properties of (6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol?
(6R,10E)-2,6,11,15-tetramethylhexadeca-2,10,14-trien-6-ol has a molecular weight of 292.51 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 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-6-ol is sourced from PubChem (CID 162980236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).