(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol

C29H46O — CID 14544611

IUPAC(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H46O/c1-8-29(30)23-22-28(7)21-13-19-26(5)16-10-9-15-25(4)18-12-20-27(6)17-11-14-24(2)3/h1,14-16,20-21,29-30H,9-13,17-19,22-23H2,2-7H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyZDYWZQJKHBMNPF-BANQPHDMSA-N
MW410.69 g/mol
LogP8.63
Rot. Bonds15

About (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol

(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol (PubChem CID 14544611) has the molecular formula C29H46O and a molecular weight of 410.69 g/mol. Its IUPAC name is (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol.

Molecular Properties

Compound Name(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol
PubChem CID14544611
Molecular FormulaC29H46O
Molecular Weight410.69 g/mol
Exact Mass410.35
IUPAC Name(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol
SMILESC#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H46O/c1-8-29(30)23-22-28(7)21-13-19-26(5)16-10-9-15-25(4)18-12-20-27(6)17-11-14-24(2)3/h1,14-16,20-21,29-30H,9-13,17-19,22-23H2,2-7H3/b25-15+,26-16+,27-20+,28-21+
InChIKeyZDYWZQJKHBMNPF-BANQPHDMSA-N
XLogP8.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.63
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol?
The IUPAC name of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol (CID 14544611) is (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol.
What is the SMILES notation for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol?
The canonical SMILES for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol is C#CC(O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol?
The InChIKey is ZDYWZQJKHBMNPF-BANQPHDMSA-N. The full InChI is InChI=1S/C29H46O/c1-8-29(30)23-22-28(7)21-13-19-26(5)16-10-9-15-25(4)18-12-20-27(6)17-11-14-24(2)3/h1,14-16,20-21,29-30H,9-13,17-19,22-23H2,2-7H3/b25-15+,26-16+,27-20+,28-21+.
What are the key properties of (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol?
(6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol has a molecular weight of 410.69 g/mol, XLogP of 8.63, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-6,10,15,19,23-pentamethyltetracosa-6,10,14,18,22-pentaen-1-yn-3-ol is sourced from PubChem (CID 14544611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).