(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol

C40H74O6 — CID 171344868

IUPAC(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC1(C)CC(C(C)(C)O)CO1
InChIInChI=1S/C40H74O6/c1-32(17-11-19-34(3)21-29-41)16-10-18-33(2)20-12-22-37(6,43)23-13-24-38(7,44)25-14-26-39(8,45)27-15-28-40(9)30-35(31-46-40)36(4,5)42/h17-18,21,35,41-45H,10-16,19-20,22-31H2,1-9H3/b32-17+,33-18+,34-21+
InChIKeyICIXZWXWCLZICQ-MBVDHRCYSA-N
MW651.03 g/mol
LogP8.88
Rot. Bonds24

About (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol

(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol (PubChem CID 171344868) has the molecular formula C40H74O6 and a molecular weight of 651.03 g/mol. Its IUPAC name is (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol.

Molecular Properties

Compound Name(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol
PubChem CID171344868
Molecular FormulaC40H74O6
Molecular Weight651.03 g/mol
Exact Mass650.55
IUPAC Name(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC1(C)CC(C(C)(C)O)CO1
InChIInChI=1S/C40H74O6/c1-32(17-11-19-34(3)21-29-41)16-10-18-33(2)20-12-22-37(6,43)23-13-24-38(7,44)25-14-26-39(8,45)27-15-28-40(9)30-35(31-46-40)36(4,5)42/h17-18,21,35,41-45H,10-16,19-20,22-31H2,1-9H3/b32-17+,33-18+,34-21+
InChIKeyICIXZWXWCLZICQ-MBVDHRCYSA-N
XLogP8.88
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.03
LogP ≤ 58.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol?
The IUPAC name of (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol (CID 171344868) is (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol.
What is the SMILES notation for (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol?
The canonical SMILES for (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC1(C)CC(C(C)(C)O)CO1.
What is the InChIKey of (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol?
The InChIKey is ICIXZWXWCLZICQ-MBVDHRCYSA-N. The full InChI is InChI=1S/C40H74O6/c1-32(17-11-19-34(3)21-29-41)16-10-18-33(2)20-12-22-37(6,43)23-13-24-38(7,44)25-14-26-39(8,45)27-15-28-40(9)30-35(31-46-40)36(4,5)42/h17-18,21,35,41-45H,10-16,19-20,22-31H2,1-9H3/b32-17+,33-18+,34-21+.
What are the key properties of (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol?
(2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol has a molecular weight of 651.03 g/mol, XLogP of 8.88, 24 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-26-[4-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23-hexamethylhexacosa-2,6,10-triene-1,15,19,23-tetrol is sourced from PubChem (CID 171344868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).