[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate

C15H30O3Si — CID 164673289

IUPAC[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
SMILESC=C(CCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(9-8-11-17-14(2)16)10-12-18-19(6,7)15(3,4)5/h1,8-12H2,2-7H3
InChIKeyVQLQTXGOIICLQE-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds8

About [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate

[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate (PubChem CID 164673289) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate.

Molecular Properties

Compound Name[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
PubChem CID164673289
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate
SMILESC=C(CCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-13(9-8-11-17-14(2)16)10-12-18-19(6,7)15(3,4)5/h1,8-12H2,2-7H3
InChIKeyVQLQTXGOIICLQE-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methylenehexyl acetate
CID 14416698
4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
4-(2,2,5,5-Tetramethyl-1,2,5-oxadisilol-3-yl)butyl acetate
CID 53483590
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl acetate
CID 138974747
[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
CID 11414961

Frequently Asked Questions

What is the IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate?
The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate (CID 164673289) is [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate.
What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate?
The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate is C=C(CCCOC(C)=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate?
The InChIKey is VQLQTXGOIICLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-13(9-8-11-17-14(2)16)10-12-18-19(6,7)15(3,4)5/h1,8-12H2,2-7H3.
What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate?
[6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[tert-butyl(dimethyl)silyl]oxy-4-methylidenehexyl] acetate is sourced from PubChem (CID 164673289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).