[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate

C16H32O3Si — CID 11609129

IUPAC[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
SMILESC=CC[C@H](OC(C)=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-15(19-14(3)17)13(2)11-12-18-20(7,8)16(4,5)6/h9,13,15H,1,10-12H2,2-8H3/t13-,15-/m0/s1
InChIKeyDBZUIEXFJVYUSI-ZFWWWQNUSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds8

About [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate

[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate (PubChem CID 11609129) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
PubChem CID11609129
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
SMILESC=CC[C@H](OC(C)=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-10-15(19-14(3)17)13(2)11-12-18-20(7,8)16(4,5)6/h9,13,15H,1,10-12H2,2-8H3/t13-,15-/m0/s1
InChIKeyDBZUIEXFJVYUSI-ZFWWWQNUSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate
CID 134831842
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 135072439
(1S,2R)-2-[1-(tert-Butyldimethylsilyloxy)-cyclopent-3-en-2-yl]ethyl acetate
CID 50942718
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
CID 67640794
[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
CID 67853973
2-[5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethyl acetate
CID 75587412
[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane
CID 89367116
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanoate
CID 152616792
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] butanoate
CID 10615048
[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate
CID 10616454
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
CID 10734930

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate?
The IUPAC name of [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate (CID 11609129) is [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate.
What is the SMILES notation for [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate?
The canonical SMILES for [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate is C=CC[C@H](OC(C)=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate?
The InChIKey is DBZUIEXFJVYUSI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-10-15(19-14(3)17)13(2)11-12-18-20(7,8)16(4,5)6/h9,13,15H,1,10-12H2,2-8H3/t13-,15-/m0/s1.
What are the key properties of [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate?
[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate is sourced from PubChem (CID 11609129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).