2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol

C30H54O5 — CID 74332597

IUPAC2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
SMILESCC(=CCCC=C(C)CCC=C(C)CCC(O)C(C)(O)CO)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H54O5/c1-23(14-10-16-25(3)18-20-27(32)29(5,6)34)12-8-9-13-24(2)15-11-17-26(4)19-21-28(33)30(7,35)22-31/h12-13,16-17,27-28,31-35H,8-11,14-15,18-22H2,1-7H3
InChIKeyWRTOUBQZZGFLLV-UHFFFAOYSA-N
MW494.76 g/mol
LogP5.91
Rot. Bonds18

About 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol

2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol (PubChem CID 74332597) has the molecular formula C30H54O5 and a molecular weight of 494.76 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
PubChem CID74332597
Molecular FormulaC30H54O5
Molecular Weight494.76 g/mol
Exact Mass494.40
IUPAC Name2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol
SMILESCC(=CCCC=C(C)CCC=C(C)CCC(O)C(C)(O)CO)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H54O5/c1-23(14-10-16-25(3)18-20-27(32)29(5,6)34)12-8-9-13-24(2)15-11-17-26(4)19-21-28(33)30(7,35)22-31/h12-13,16-17,27-28,31-35H,8-11,14-15,18-22H2,1-7H3
InChIKeyWRTOUBQZZGFLLV-UHFFFAOYSA-N
XLogP5.91
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 55.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-6,10,14,18-tetraene-1,2,3,22,23-pentol?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol (CID 74332597) is 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol is CC(=CCCC=C(C)CCC=C(C)CCC(O)C(C)(O)CO)CCC=C(C)CCC(O)C(C)(C)O.
What is the InChIKey of 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?
The InChIKey is WRTOUBQZZGFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O5/c1-23(14-10-16-25(3)18-20-27(32)29(5,6)34)12-8-9-13-24(2)15-11-17-26(4)19-21-28(33)30(7,35)22-31/h12-13,16-17,27-28,31-35H,8-11,14-15,18-22H2,1-7H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol?
2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol has a molecular weight of 494.76 g/mol, XLogP of 5.91, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-1,2,3,22,23-pentol is sourced from PubChem (CID 74332597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).