(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol

C30H46O2 — CID 21427355

IUPAC(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
SMILESC=C(C)CCC/C(C)=C/CCC(C)(O)C#CC#CC(C)(O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H46O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h16,19-20,31-32H,1,11-15,17-18,23-24H2,2-8H3/b27-19+,28-20+
InChIKeyZEUYHGJHJIRRPW-MKYUKRCKSA-N
MW438.70 g/mol
LogP7.44
Rot. Bonds13

About (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol

(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol (PubChem CID 21427355) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol.

Molecular Properties

Compound Name(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
PubChem CID21427355
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
SMILESC=C(C)CCC/C(C)=C/CCC(C)(O)C#CC#CC(C)(O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H46O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h16,19-20,31-32H,1,11-15,17-18,23-24H2,2-8H3/b27-19+,28-20+
InChIKeyZEUYHGJHJIRRPW-MKYUKRCKSA-N
XLogP7.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol with MolForge

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Related Compounds

2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol
CID 54543374
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(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-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
CID 73017728
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol?
The IUPAC name of (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol (CID 21427355) is (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol.
What is the SMILES notation for (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol?
The canonical SMILES for (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol is C=C(C)CCC/C(C)=C/CCC(C)(O)C#CC#CC(C)(O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol?
The InChIKey is ZEUYHGJHJIRRPW-MKYUKRCKSA-N. The full InChI is InChI=1S/C30H46O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h16,19-20,31-32H,1,11-15,17-18,23-24H2,2-8H3/b27-19+,28-20+.
What are the key properties of (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol?
(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol has a molecular weight of 438.70 g/mol, XLogP of 7.44, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,18,22-tetraen-11,13-diyne-10,15-diol is sourced from PubChem (CID 21427355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).