(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide

C26H45NO3 — CID 58586118

IUPAC(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide
SMILESCC(C)=C(C)/C=C/C=C\C=C(\C)C(O)C(C)(C)C(=O)NCCCCCC(O)C(C)C
InChIInChI=1S/C26H45NO3/c1-19(2)21(5)15-11-9-12-16-22(6)24(29)26(7,8)25(30)27-18-14-10-13-17-23(28)20(3)4/h9,11-12,15-16,20,23-24,28-29H,10,13-14,17-18H2,1-8H3,(H,27,30)/b12-9-,15-11+,22-16-
InChIKeyOKRKWTZEJYBBLT-OPHNKPOXSA-N
MW419.65 g/mol
LogP5.48
Rot. Bonds13

About (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide

(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide (PubChem CID 58586118) has the molecular formula C26H45NO3 and a molecular weight of 419.65 g/mol. Its IUPAC name is (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide.

Molecular Properties

Compound Name(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide
PubChem CID58586118
Molecular FormulaC26H45NO3
Molecular Weight419.65 g/mol
Exact Mass419.34
IUPAC Name(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide
SMILESCC(C)=C(C)/C=C/C=C\C=C(\C)C(O)C(C)(C)C(=O)NCCCCCC(O)C(C)C
InChIInChI=1S/C26H45NO3/c1-19(2)21(5)15-11-9-12-16-22(6)24(29)26(7,8)25(30)27-18-14-10-13-17-23(28)20(3)4/h9,11-12,15-16,20,23-24,28-29H,10,13-14,17-18H2,1-8H3,(H,27,30)/b12-9-,15-11+,22-16-
InChIKeyOKRKWTZEJYBBLT-OPHNKPOXSA-N
XLogP5.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.65
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide?
The IUPAC name of (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide (CID 58586118) is (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide.
What is the SMILES notation for (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide?
The canonical SMILES for (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide is CC(C)=C(C)/C=C/C=C\C=C(\C)C(O)C(C)(C)C(=O)NCCCCCC(O)C(C)C.
What is the InChIKey of (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide?
The InChIKey is OKRKWTZEJYBBLT-OPHNKPOXSA-N. The full InChI is InChI=1S/C26H45NO3/c1-19(2)21(5)15-11-9-12-16-22(6)24(29)26(7,8)25(30)27-18-14-10-13-17-23(28)20(3)4/h9,11-12,15-16,20,23-24,28-29H,10,13-14,17-18H2,1-8H3,(H,27,30)/b12-9-,15-11+,22-16-.
What are the key properties of (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide?
(4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide has a molecular weight of 419.65 g/mol, XLogP of 5.48, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8E)-3-hydroxy-N-(6-hydroxy-7-methyloctyl)-2,2,4,10,11-pentamethyldodeca-4,6,8,10-tetraenamide is sourced from PubChem (CID 58586118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).