(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione

C41H73NO2 — CID 87059499

IUPAC(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(CN(C)C)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H73NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)37-39(38-42(3)4)41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,39H,5-12,17-18,23-38H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKeyVDYVTMXBGOIUMS-KWXKLSQISA-N
MW612.04 g/mol
LogP12.32
Rot. Bonds33

About (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione

(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione (PubChem CID 87059499) has the molecular formula C41H73NO2 and a molecular weight of 612.04 g/mol. Its IUPAC name is (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione.

Molecular Properties

Compound Name(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione
PubChem CID87059499
Molecular FormulaC41H73NO2
Molecular Weight612.04 g/mol
Exact Mass611.56
IUPAC Name(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(CN(C)C)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H73NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)37-39(38-42(3)4)41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,39H,5-12,17-18,23-38H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKeyVDYVTMXBGOIUMS-KWXKLSQISA-N
XLogP12.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.04
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione 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 (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione?
The IUPAC name of (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione (CID 87059499) is (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione.
What is the SMILES notation for (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione?
The canonical SMILES for (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione is CCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(CN(C)C)C(=O)CCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione?
The InChIKey is VDYVTMXBGOIUMS-KWXKLSQISA-N. The full InChI is InChI=1S/C41H73NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)37-39(38-42(3)4)41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,39H,5-12,17-18,23-38H2,1-4H3/b15-13-,16-14-,21-19-,22-20-.
What are the key properties of (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione?
(6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione has a molecular weight of 612.04 g/mol, XLogP of 12.32, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,29Z,32Z)-19-[(dimethylamino)methyl]octatriaconta-6,9,29,32-tetraene-18,21-dione is sourced from PubChem (CID 87059499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).