(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol

C25H36O2 — CID 46938549

IUPAC(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
SMILESCCC(O)/C(C)=C/C(C)C(O)/C(C)=C/C(C)=C/C(C)/C=C/c1ccccc1
InChIInChI=1S/C25H36O2/c1-7-24(26)20(4)17-22(6)25(27)21(5)16-19(3)15-18(2)13-14-23-11-9-8-10-12-23/h8-18,22,24-27H,7H2,1-6H3/b14-13+,19-15+,20-17+,21-16+
InChIKeyYLFWWEOWHPOZJW-LPSDNXKQSA-N
MW368.56 g/mol
LogP5.94
Rot. Bonds9

About (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol

(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol (PubChem CID 46938549) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol.

Molecular Properties

Compound Name(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
PubChem CID46938549
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol
SMILESCCC(O)/C(C)=C/C(C)C(O)/C(C)=C/C(C)=C/C(C)/C=C/c1ccccc1
InChIInChI=1S/C25H36O2/c1-7-24(26)20(4)17-22(6)25(27)21(5)16-19(3)15-18(2)13-14-23-11-9-8-10-12-23/h8-18,22,24-27H,7H2,1-6H3/b14-13+,19-15+,20-17+,21-16+
InChIKeyYLFWWEOWHPOZJW-LPSDNXKQSA-N
XLogP5.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 55.94
H-Bond Donors ≤ 52
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 (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol?
The IUPAC name of (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol (CID 46938549) is (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol.
What is the SMILES notation for (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol?
The canonical SMILES for (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol is CCC(O)/C(C)=C/C(C)C(O)/C(C)=C/C(C)=C/C(C)/C=C/c1ccccc1.
What is the InChIKey of (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol?
The InChIKey is YLFWWEOWHPOZJW-LPSDNXKQSA-N. The full InChI is InChI=1S/C25H36O2/c1-7-24(26)20(4)17-22(6)25(27)21(5)16-19(3)15-18(2)13-14-23-11-9-8-10-12-23/h8-18,22,24-27H,7H2,1-6H3/b14-13+,19-15+,20-17+,21-16+.
What are the key properties of (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol?
(4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol has a molecular weight of 368.56 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,10E,13E)-4,6,8,10,12-pentamethyl-14-phenyltetradeca-4,8,10,13-tetraene-3,7-diol is sourced from PubChem (CID 46938549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).