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

C15H30O4Si — CID 11565700

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-5)11-9-10-12-18-20(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyIANXDORZOSAICI-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.52
Rot. Bonds8

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

7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate (PubChem CID 11565700) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate
PubChem CID11565700
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate
SMILESC=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC
InChIInChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-5)11-9-10-12-18-20(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3
InChIKeyIANXDORZOSAICI-UHFFFAOYSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl carbonate?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate (CID 11565700) is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate is C=CC(CCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate?
The InChIKey is IANXDORZOSAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-5)11-9-10-12-18-20(6,7)15(2,3)4/h8,13H,1,9-12H2,2-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate?
7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate has a molecular weight of 302.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl methyl carbonate is sourced from PubChem (CID 11565700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).