[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate

C20H38O3Si — CID 11660377

IUPAC[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate
SMILESCC(=O)O/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H38O3Si/c1-17(21)22-16-19(18-12-8-7-9-13-18)14-10-11-15-23-24(5,6)20(2,3)4/h16,18H,7-15H2,1-6H3/b19-16-
InChIKeyKHAPDBMWSBPJSZ-MNDPQUGUSA-N
MW354.61 g/mol
LogP6.21
Rot. Bonds8

About [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate

[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate (PubChem CID 11660377) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate
PubChem CID11660377
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate
SMILESCC(=O)O/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H38O3Si/c1-17(21)22-16-19(18-12-8-7-9-13-18)14-10-11-15-23-24(5,6)20(2,3)4/h16,18H,7-15H2,1-6H3/b19-16-
InChIKeyKHAPDBMWSBPJSZ-MNDPQUGUSA-N
XLogP6.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.21
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'}

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Related Compounds

[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-tributylstannylpent-2-en-1-one
CID 10973945
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
8-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate?
The IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate (CID 11660377) is [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate.
What is the SMILES notation for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate?
The canonical SMILES for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate is CC(=O)O/C=C(/CCCCO[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate?
The InChIKey is KHAPDBMWSBPJSZ-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-17(21)22-16-19(18-12-8-7-9-13-18)14-10-11-15-23-24(5,6)20(2,3)4/h16,18H,7-15H2,1-6H3/b19-16-.
What are the key properties of [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate?
[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate has a molecular weight of 354.61 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylhex-1-enyl] acetate is sourced from PubChem (CID 11660377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).