[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate

C16H32O3Si — CID 10086198

IUPAC[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCC[C@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C16H32O3Si/c1-16(2,3)15(18)19-12-9-7-8-10-14(17)11-13-20(4,5)6/h11,13-14,17H,7-10,12H2,1-6H3/b13-11+/t14-/m0/s1
InChIKeyUSAADVGCCMOLQP-CMPYXILNSA-N
MW300.52 g/mol
LogP3.93
Rot. Bonds8

About [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate

[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate (PubChem CID 10086198) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
PubChem CID10086198
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCC[C@H](O)/C=C/[Si](C)(C)C
InChIInChI=1S/C16H32O3Si/c1-16(2,3)15(18)19-12-9-7-8-10-14(17)11-13-20(4,5)6/h11,13-14,17H,7-10,12H2,1-6H3/b13-11+/t14-/m0/s1
InChIKeyUSAADVGCCMOLQP-CMPYXILNSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
[(E,4S)-4-hydroxy-6-trimethylsilylhex-5-enyl] 2,2-dimethylpropanoate
CID 10084652
[(E,6S)-6-hydroxy-8-triethylsilyloct-7-enyl] acetate
CID 10063396
[(E,4S)-4-hydroxy-6-triethylsilylhex-5-enyl] 2,2-dimethylpropanoate
CID 10425811
7-[Tert-butyl(dimethyl)silyl]oxydec-9-enyl 3-hydroxypent-4-enoate
CID 42603703
Acetic acid;2-trimethylsilyltridec-1-en-3-ol
CID 71385505
[(3S,6S)-3-hydroxypentadec-1-en-6-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71665639
7-[tert-butyl(dimethyl)silyl]oxydec-9-enyl (3S)-3-hydroxypent-4-enoate
CID 102286144

Frequently Asked Questions

What is the IUPAC name of [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate (CID 10086198) is [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCCC[C@H](O)/C=C/[Si](C)(C)C.
What is the InChIKey of [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate?
The InChIKey is USAADVGCCMOLQP-CMPYXILNSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)15(18)19-12-9-7-8-10-14(17)11-13-20(4,5)6/h11,13-14,17H,7-10,12H2,1-6H3/b13-11+/t14-/m0/s1.
What are the key properties of [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate?
[(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate has a molecular weight of 300.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,6S)-6-hydroxy-8-trimethylsilyloct-7-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10086198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).