[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate

C15H32O2Si — CID 11778033

IUPAC[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate
SMILESCCCC[C@H]([C@@H](CCCC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-9-11-14(17-13(3)16)15(12-10-8-2)18(4,5)6/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1
InChIKeyFKLCARXOFMSCHB-HUUCEWRRSA-N
MW272.50 g/mol
LogP5.01
Rot. Bonds9

About [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate

[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate (PubChem CID 11778033) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate.

Molecular Properties

Compound Name[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate
PubChem CID11778033
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate
SMILESCCCC[C@H]([C@@H](CCCC)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-9-11-14(17-13(3)16)15(12-10-8-2)18(4,5)6/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1
InChIKeyFKLCARXOFMSCHB-HUUCEWRRSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(5R,6S)-5-hydroxyhexadecan-6-yl] acetate
CID 142709765
1-methoxypentyl acetate
CID 18000534
1-acetyloxytetradecyl acetate
CID 88785738
3-hydroxyhexadecan-4-yl acetate
CID 59845354
hexan-2-yl acetate;methane
CID 159910641
3-methylheptan-2-yl acetate
CID 91461140
1-methylsulfonyloxypentyl acetate
CID 141334012
[(5S,6R)-9,9-dimethyl-6-(trifluoromethyl)dec-7-yn-5-yl] acetate
CID 10637388
methyl (2S)-2-[(1S)-1-acetyloxydecyl]hexadecanoate
CID 162921149
methyl (2R,3S)-3-acetyloxy-2-tetradecyloctadecanoate
CID 162879731
methyl 9,10-diacetyloxyoctadecanoate
CID 14345254
1-iodohexan-2-yl acetate
CID 11184782

Frequently Asked Questions

What is the IUPAC name of [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate?
The IUPAC name of [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate (CID 11778033) is [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate.
What is the SMILES notation for [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate?
The canonical SMILES for [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate is CCCC[C@H]([C@@H](CCCC)OC(C)=O)[Si](C)(C)C.
What is the InChIKey of [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate?
The InChIKey is FKLCARXOFMSCHB-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-9-11-14(17-13(3)16)15(12-10-8-2)18(4,5)6/h14-15H,7-12H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate?
[(5R,6R)-6-trimethylsilyldecan-5-yl] acetate has a molecular weight of 272.50 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R)-6-trimethylsilyldecan-5-yl] acetate is sourced from PubChem (CID 11778033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).