2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol

C30H50O — CID 550102

IUPAC2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
SMILESC=C(C)C(O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3
InChIKeyJLUBMMAQMKVTGL-UHFFFAOYSA-N
MW426.73 g/mol
LogP9.58
Rot. Bonds16

About 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol

2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol (PubChem CID 550102) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
PubChem CID550102
Molecular FormulaC30H50O
Molecular Weight426.73 g/mol
Exact Mass426.39
IUPAC Name2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
SMILESC=C(C)C(O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3
InChIKeyJLUBMMAQMKVTGL-UHFFFAOYSA-N
XLogP9.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.58
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 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol (CID 550102) is 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol is C=C(C)C(O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol?
The InChIKey is JLUBMMAQMKVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol?
2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol has a molecular weight of 426.73 g/mol, XLogP of 9.58, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol is sourced from PubChem (CID 550102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).