(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one

C34H68O2Si — CID 5366350

IUPAC(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one
SMILESCCCCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C34H68O2Si/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-34(36-37(3,4)5)32-33(35)30-28-26-24-22-20-17-15-13-11-9-7-2/h32H,6-31H2,1-5H3/b34-32-
InChIKeyIEZQBMXPKBMKRL-YJKCNMNRSA-N
MW537.00 g/mol
LogP12.47
Rot. Bonds29

About (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one

(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one (PubChem CID 5366350) has the molecular formula C34H68O2Si and a molecular weight of 537.00 g/mol. Its IUPAC name is (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one.

Molecular Properties

Compound Name(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one
PubChem CID5366350
Molecular FormulaC34H68O2Si
Molecular Weight537.00 g/mol
Exact Mass536.50
IUPAC Name(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one
SMILESCCCCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C34H68O2Si/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-34(36-37(3,4)5)32-33(35)30-28-26-24-22-20-17-15-13-11-9-7-2/h32H,6-31H2,1-5H3/b34-32-
InChIKeyIEZQBMXPKBMKRL-YJKCNMNRSA-N
XLogP12.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.00
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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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-7,16,18-trione O-trimethylsilyl ether
CID 5366388
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-15-en-14-one?
The IUPAC name of (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one (CID 5366350) is (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one.
What is the SMILES notation for (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one?
The canonical SMILES for (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one is CCCCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one?
The InChIKey is IEZQBMXPKBMKRL-YJKCNMNRSA-N. The full InChI is InChI=1S/C34H68O2Si/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-34(36-37(3,4)5)32-33(35)30-28-26-24-22-20-17-15-13-11-9-7-2/h32H,6-31H2,1-5H3/b34-32-.
What are the key properties of (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one?
(Z)-16-trimethylsilyloxyhentriacont-15-en-14-one has a molecular weight of 537.00 g/mol, XLogP of 12.47, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-trimethylsilyloxyhentriacont-15-en-14-one is sourced from PubChem (CID 5366350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).