(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol

C28H42O2 — CID 14544612

IUPAC(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C#C
InChIInChI=1S/C28H42O2/c1-7-27(29)21-19-25(5)17-11-15-23(3)13-9-10-14-24(4)16-12-18-26(6)20-22-28(30)8-2/h1-2,13-14,17-18,27-30H,9-12,15-16,19-22H2,3-6H3/b23-13+,24-14+,25-17+,26-18+
InChIKeyKLCLKOLLZKAMSI-TXLDAEQNSA-N
MW410.64 g/mol
LogP6.66
Rot. Bonds15

About (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol

(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol (PubChem CID 14544612) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol.

Molecular Properties

Compound Name(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol
PubChem CID14544612
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C#C
InChIInChI=1S/C28H42O2/c1-7-27(29)21-19-25(5)17-11-15-23(3)13-9-10-14-24(4)16-12-18-26(6)20-22-28(30)8-2/h1-2,13-14,17-18,27-30H,9-12,15-16,19-22H2,3-6H3/b23-13+,24-14+,25-17+,26-18+
InChIKeyKLCLKOLLZKAMSI-TXLDAEQNSA-N
XLogP6.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol?
The IUPAC name of (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol (CID 14544612) is (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol.
What is the SMILES notation for (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol?
The canonical SMILES for (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol is C#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(O)C#C.
What is the InChIKey of (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol?
The InChIKey is KLCLKOLLZKAMSI-TXLDAEQNSA-N. The full InChI is InChI=1S/C28H42O2/c1-7-27(29)21-19-25(5)17-11-15-23(3)13-9-10-14-24(4)16-12-18-26(6)20-22-28(30)8-2/h1-2,13-14,17-18,27-30H,9-12,15-16,19-22H2,3-6H3/b23-13+,24-14+,25-17+,26-18+.
What are the key properties of (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol?
(6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol has a molecular weight of 410.64 g/mol, XLogP of 6.66, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-6,10,15,19-tetramethyltetracosa-6,10,14,18-tetraen-1,23-diyne-3,22-diol is sourced from PubChem (CID 14544612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).