4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol

C16H34O2Si — CID 172795634

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol
SMILESCCCCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h11,13,17H,8-10,12,14H2,1-7H3
InChIKeyQDWZORFWJVTBDO-UHFFFAOYSA-N
MW286.53 g/mol
LogP4.90
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol (PubChem CID 172795634) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol
PubChem CID172795634
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol
SMILESCCCCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h11,13,17H,8-10,12,14H2,1-7H3
InChIKeyQDWZORFWJVTBDO-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol (CID 172795634) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol is CCCCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol?
The InChIKey is QDWZORFWJVTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-9-10-12-16(5,13-11-14-17)18-19(6,7)15(2,3)4/h11,13,17H,8-10,12,14H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylnon-2-en-1-ol is sourced from PubChem (CID 172795634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).