(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione

C34H66O3Si — CID 5366388

IUPAC(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione
SMILESCCCCCCCCCCCCCC(=O)/C=C(/CCCCCCCCC(=O)CCCCCC)O[Si](C)(C)C
InChIInChI=1S/C34H66O3Si/c1-6-8-10-12-13-14-15-16-17-21-25-29-33(36)31-34(37-38(3,4)5)30-26-22-19-18-20-24-28-32(35)27-23-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-
InChIKeyIDPPPRKAZSNMQT-NMSHJFGGSA-N
MW550.99 g/mol
LogP11.65
Rot. Bonds29

About (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione

(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione (PubChem CID 5366388) has the molecular formula C34H66O3Si and a molecular weight of 550.99 g/mol. Its IUPAC name is (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione.

Molecular Properties

Compound Name(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione
PubChem CID5366388
Molecular FormulaC34H66O3Si
Molecular Weight550.99 g/mol
Exact Mass550.48
IUPAC Name(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione
SMILESCCCCCCCCCCCCCC(=O)/C=C(/CCCCCCCCC(=O)CCCCCC)O[Si](C)(C)C
InChIInChI=1S/C34H66O3Si/c1-6-8-10-12-13-14-15-16-17-21-25-29-33(36)31-34(37-38(3,4)5)30-26-22-19-18-20-24-28-32(35)27-23-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-
InChIKeyIDPPPRKAZSNMQT-NMSHJFGGSA-N
XLogP11.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.99
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one
CID 134972894
Hentriacontane-10,14,16-trione, mono-TMS
CID 5363462
25-Trimethylsilyloxyhentriacontane-14,16-dione, O-mono-trimethylsilyl
CID 5366346
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
3 Hydroxy-2,3-didehydrosebacic acid, tris(trimethylsilyl) derivative
CID 5366445
(Z)-18-hydroxytritriacont-17-en-16-one
CID 125181647
(Z)-9-oxopentadec-7-en-7-olate
CID 59297224
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744
2-[(E)-oct-3-enyl]-3-triethylsilyloxycyclopent-2-en-1-one
CID 142634193
Triethyl(undec-1-en-2-yloxy)silane;triethyl(undec-2-en-2-yloxy)silane;trimethyl(undec-1-en-2-yloxy)silane;trimethyl(undec-2-en-2-yloxy)silane;undecan-2-one
CID 157710616
3-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 177067633
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one
CID 10755367

Frequently Asked Questions

What is the IUPAC name of (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione?
The IUPAC name of (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione (CID 5366388) is (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione.
What is the SMILES notation for (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione?
The canonical SMILES for (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione is CCCCCCCCCCCCCC(=O)/C=C(/CCCCCCCCC(=O)CCCCCC)O[Si](C)(C)C.
What is the InChIKey of (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione?
The InChIKey is IDPPPRKAZSNMQT-NMSHJFGGSA-N. The full InChI is InChI=1S/C34H66O3Si/c1-6-8-10-12-13-14-15-16-17-21-25-29-33(36)31-34(37-38(3,4)5)30-26-22-19-18-20-24-28-32(35)27-23-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-.
What are the key properties of (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione?
(Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione has a molecular weight of 550.99 g/mol, XLogP of 11.65, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-trimethylsilyloxyhentriacont-16-ene-7,18-dione is sourced from PubChem (CID 5366388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).