7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate

C15H30O3Si — CID 10924155

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-8-14(18-13(2)16)11-9-10-12-17-19(6,7)15(3,4)5/h8,14H,1,9-12H2,2-7H3
InChIKeyFGRWVYVBEKHWBT-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate

7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate (PubChem CID 10924155) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate
PubChem CID10924155
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-8-14(18-13(2)16)11-9-10-12-17-19(6,7)15(3,4)5/h8,14H,1,9-12H2,2-7H3
InChIKeyFGRWVYVBEKHWBT-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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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate (CID 10924155) is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate is C=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate?
The InChIKey is FGRWVYVBEKHWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-14(18-13(2)16)11-9-10-12-17-19(6,7)15(3,4)5/h8,14H,1,9-12H2,2-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate?
7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl 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 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate is sourced from PubChem (CID 10924155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).