(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol

C30H54O4 — CID 162894418

IUPAC(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C30H54O4/c1-23(15-11-17-25(3)19-21-27(31)29(5,6)33)13-9-10-14-24(2)16-12-18-26(4)20-22-28(32)30(7,8)34/h13-14,17-18,27-28,31-34H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28+
InChIKeyNPWAQSYSDCQSKY-SOMXJEHOSA-N
MW478.76 g/mol
LogP6.94
Rot. Bonds17

About (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol

(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol (PubChem CID 162894418) has the molecular formula C30H54O4 and a molecular weight of 478.76 g/mol. Its IUPAC name is (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol.

Molecular Properties

Compound Name(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
PubChem CID162894418
Molecular FormulaC30H54O4
Molecular Weight478.76 g/mol
Exact Mass478.40
IUPAC Name(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C30H54O4/c1-23(15-11-17-25(3)19-21-27(31)29(5,6)33)13-9-10-14-24(2)16-12-18-26(4)20-22-28(32)30(7,8)34/h13-14,17-18,27-28,31-34H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28+
InChIKeyNPWAQSYSDCQSKY-SOMXJEHOSA-N
XLogP6.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 56.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol?
The IUPAC name of (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol (CID 162894418) is (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol.
What is the SMILES notation for (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol?
The canonical SMILES for (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol is C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O.
What is the InChIKey of (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol?
The InChIKey is NPWAQSYSDCQSKY-SOMXJEHOSA-N. The full InChI is InChI=1S/C30H54O4/c1-23(15-11-17-25(3)19-21-27(31)29(5,6)33)13-9-10-14-24(2)16-12-18-26(4)20-22-28(32)30(7,8)34/h13-14,17-18,27-28,31-34H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28+.
What are the key properties of (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol?
(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol has a molecular weight of 478.76 g/mol, XLogP of 6.94, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol is sourced from PubChem (CID 162894418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).