(14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide

About (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide

(14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide (PubChem CID 164509822) has the molecular formula C70H127NO3 and a molecular weight of 1030.79 g/mol. Its IUPAC name is (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide.

Molecular Properties

Compound Name	(14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide
PubChem CID	164509822
Molecular Formula	C70H127NO3
Molecular Weight	1030.79 g/mol
Exact Mass	1029.98
IUPAC Name	(14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C70H127NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-69(73)68(67-72)71-70(74)66-64-62-60-58-56-54-52-50-48-46-44-42-40-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,40,42,63,65,68-69,72-73H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-39,41,43-62,64,66-67H2,1-2H3,(H,71,74)/b8-6-,14-12-,20-18-,26-24-,32-30-,42-40-,65-63+
InChIKey	ZYNVTEQEWKHNFL-QVXBHKKXSA-N
XLogP	22.26
TPSA	69.56 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	60
Heavy Atoms	74
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.79
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide?

The IUPAC name of (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide (CID 164509822) is (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide.

What is the SMILES notation for (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide?

The canonical SMILES for (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.

What is the InChIKey of (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide?

The InChIKey is ZYNVTEQEWKHNFL-QVXBHKKXSA-N. The full InChI is InChI=1S/C70H127NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-69(73)68(67-72)71-70(74)66-64-62-60-58-56-54-52-50-48-46-44-42-40-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,40,42,63,65,68-69,72-73H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-39,41,43-62,64,66-67H2,1-2H3,(H,71,74)/b8-6-,14-12-,20-18-,26-24-,32-30-,42-40-,65-63+.

What are the key properties of (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide?

(14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide has a molecular weight of 1030.79 g/mol, XLogP of 22.26, 60 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (14Z,17Z,20Z,23Z,26Z,29Z)-N-[(E)-1,3-dihydroxyoctatriacont-4-en-2-yl]dotriaconta-14,17,20,23,26,29-hexaenamide is sourced from PubChem (CID 164509822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).