(Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione

C34H66O3Si — CID 5363462

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

About (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione

(Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione (PubChem CID 5363462) has the molecular formula C34H66O3Si and a molecular weight of 550.99 g/mol. Its IUPAC name is (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione.

Molecular Properties

Compound Name(Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione
PubChem CID5363462
Molecular FormulaC34H66O3Si
Molecular Weight550.99 g/mol
Exact Mass550.48
IUPAC Name(Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione
SMILESCCCCCCCCCCCCCCCC(=O)/C=C(/CCCC(=O)CCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C34H66O3Si/c1-6-8-10-12-14-15-16-17-18-19-21-23-25-28-33(36)31-34(37-38(3,4)5)30-26-29-32(35)27-24-22-20-13-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-
InChIKeyCAUSIGRQNSAPNY-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'}

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Related Compounds

(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one
CID 134972894
25-Trimethylsilyloxyhentriacontane-14,16-dione, O-mono-trimethylsilyl
CID 5366346
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744
1-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dien-5-one
CID 153721307
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
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
CID 11739269
(9E)-9,10-bis(trimethylsilyloxy)cycloheptadec-9-en-1-one
CID 68114320
3-Tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 86046794
3-[4-Tri(propan-2-yl)silyloxybutyl]cyclohex-2-en-1-one
CID 102073616

Frequently Asked Questions

What is the IUPAC name of (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione?
The IUPAC name of (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione (CID 5363462) is (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione.
What is the SMILES notation for (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione?
The canonical SMILES for (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione is CCCCCCCCCCCCCCCC(=O)/C=C(/CCCC(=O)CCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione?
The InChIKey is CAUSIGRQNSAPNY-NMSHJFGGSA-N. The full InChI is InChI=1S/C34H66O3Si/c1-6-8-10-12-14-15-16-17-18-19-21-23-25-28-33(36)31-34(37-38(3,4)5)30-26-29-32(35)27-24-22-20-13-11-9-7-2/h31H,6-30H2,1-5H3/b34-31-.
What are the key properties of (Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione?
(Z)-14-trimethylsilyloxyhentriacont-14-ene-10,16-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)-14-trimethylsilyloxyhentriacont-14-ene-10,16-dione is sourced from PubChem (CID 5363462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).