(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one

C37H76O3Si2 — CID 5366346

IUPAC(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one
SMILESCCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C37H76O3Si2/c1-9-11-13-15-16-17-18-19-20-25-29-33-37(40-42(6,7)8)34-35(38)30-26-23-21-22-24-28-32-36(39-41(3,4)5)31-27-14-12-10-2/h34,36H,9-33H2,1-8H3/b37-34-
InChIKeySAXPGHPMZNXDNF-LLLYXHGFSA-N
MW625.18 g/mol
LogP13.30
Rot. Bonds31

About (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one

(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one (PubChem CID 5366346) has the molecular formula C37H76O3Si2 and a molecular weight of 625.18 g/mol. Its IUPAC name is (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one.

Molecular Properties

Compound Name(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one
PubChem CID5366346
Molecular FormulaC37H76O3Si2
Molecular Weight625.18 g/mol
Exact Mass624.53
IUPAC Name(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one
SMILESCCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C37H76O3Si2/c1-9-11-13-15-16-17-18-19-20-25-29-33-37(40-42(6,7)8)34-35(38)30-26-23-21-22-24-28-32-36(39-41(3,4)5)31-27-14-12-10-2/h34,36H,9-33H2,1-8H3/b37-34-
InChIKeySAXPGHPMZNXDNF-LLLYXHGFSA-N
XLogP13.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.18
LogP ≤ 513.30
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

Hentriacontane-10,14,16-trione, mono-TMS
CID 5363462
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
(19Z,22R)-22-{[tert-butyl(dimethyl)silyl]oxy}octacos-19-en-11-one
CID 131749544
(Z,24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
CID 140736947
(7R,9Z,26Z,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 140736953
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
(24R)-24-[tert-butyl(dimethyl)silyl]oxytriacont-21-en-13-one
CID 173634051
(7R,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 173634058
(22R)-22-[tert-butyl(dimethyl)silyl]oxyoctacos-19-en-11-one
CID 173634088
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one
CID 10755367
3-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]cyclohex-2-en-1-one
CID 16726215

Frequently Asked Questions

What is the IUPAC name of (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one?
The IUPAC name of (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one (CID 5366346) is (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one.
What is the SMILES notation for (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one?
The canonical SMILES for (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one is CCCCCCCCCCCCC/C(=C/C(=O)CCCCCCCCC(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one?
The InChIKey is SAXPGHPMZNXDNF-LLLYXHGFSA-N. The full InChI is InChI=1S/C37H76O3Si2/c1-9-11-13-15-16-17-18-19-20-25-29-33-37(40-42(6,7)8)34-35(38)30-26-23-21-22-24-28-32-36(39-41(3,4)5)31-27-14-12-10-2/h34,36H,9-33H2,1-8H3/b37-34-.
What are the key properties of (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one?
(Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one has a molecular weight of 625.18 g/mol, XLogP of 13.30, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-14,25-bis(trimethylsilyloxy)hentriacont-14-en-16-one is sourced from PubChem (CID 5366346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).