2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol

C30H52O — CID 162973522

IUPAC2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol
SMILESC=C(C)CC(O)C=C(C)CCCC(C)CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C30H52O/c1-24(2)14-11-17-28(7)19-12-18-26(5)15-9-10-16-27(6)20-13-21-29(8)23-30(31)22-25(3)4/h14-15,19,23,27,30-31H,3,9-13,16-18,20-22H2,1-2,4-8H3
InChIKeyBDDPATXVSPBOGZ-UHFFFAOYSA-N
MW428.75 g/mol
LogP9.66
Rot. Bonds17

About 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol

2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol (PubChem CID 162973522) has the molecular formula C30H52O and a molecular weight of 428.75 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol
PubChem CID162973522
Molecular FormulaC30H52O
Molecular Weight428.75 g/mol
Exact Mass428.40
IUPAC Name2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol
SMILESC=C(C)CC(O)C=C(C)CCCC(C)CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C30H52O/c1-24(2)14-11-17-28(7)19-12-18-26(5)15-9-10-16-27(6)20-13-21-29(8)23-30(31)22-25(3)4/h14-15,19,23,27,30-31H,3,9-13,16-18,20-22H2,1-2,4-8H3
InChIKeyBDDPATXVSPBOGZ-UHFFFAOYSA-N
XLogP9.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 59.66
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'}

Analyze 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol with MolForge

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Related Compounds

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CID 140820993
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232

Frequently Asked Questions

What is the IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol (CID 162973522) is 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol is C=C(C)CC(O)C=C(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-1,5,14,18,22-pentaen-4-ol?
The InChIKey is BDDPATXVSPBOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O/c1-24(2)14-11-17-28(7)19-12-18-26(5)15-9-10-16-27(6)20-13-21-29(8)23-30(31)22-25(3)4/h14-15,19,23,27,30-31H,3,9-13,16-18,20-22H2,1-2,4-8H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol?
2,6,10,15,19,23-hexamethyltetracosa-1,5,14,18,22-pentaen-4-ol has a molecular weight of 428.75 g/mol, XLogP of 9.66, 17 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-1,5,14,18,22-pentaen-4-ol is sourced from PubChem (CID 162973522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).