1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol

C18H30O2Si — CID 73222990

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol
SMILESC=CCC(O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-7-11-16(19)14-17(15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17,19H,1,11,14H2,2-6H3
InChIKeyFXSRGGWXTDJXME-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.08
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol

1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol (PubChem CID 73222990) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol
PubChem CID73222990
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol
SMILESC=CCC(O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O2Si/c1-7-11-16(19)14-17(15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17,19H,1,11,14H2,2-6H3
InChIKeyFXSRGGWXTDJXME-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol (CID 73222990) is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol is C=CCC(O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol?
The InChIKey is FXSRGGWXTDJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-11-16(19)14-17(15-12-9-8-10-13-15)20-21(5,6)18(2,3)4/h7-10,12-13,16-17,19H,1,11,14H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol?
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol has a molecular weight of 306.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 73222990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).