7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol

C16H33FO2Si — CID 54233189

IUPAC7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
SMILESCCCC(C)(C)[Si](C)(C)OCCC=C(F)C(O)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-9-10-14(17)15(18)13(2)3/h10,13,15,18H,8-9,11-12H2,1-7H3
InChIKeyQKSAESBDBORHHW-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.05
Rot. Bonds9

About 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol

7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol (PubChem CID 54233189) has the molecular formula C16H33FO2Si and a molecular weight of 304.52 g/mol. Its IUPAC name is 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol.

Molecular Properties

Compound Name7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
PubChem CID54233189
Molecular FormulaC16H33FO2Si
Molecular Weight304.52 g/mol
Exact Mass304.22
IUPAC Name7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
SMILESCCCC(C)(C)[Si](C)(C)OCCC=C(F)C(O)C(C)C
InChIInChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-9-10-14(17)15(18)13(2)3/h10,13,15,18H,8-9,11-12H2,1-7H3
InChIKeyQKSAESBDBORHHW-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol?
The IUPAC name of 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol (CID 54233189) is 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol.
What is the SMILES notation for 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol?
The canonical SMILES for 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol is CCCC(C)(C)[Si](C)(C)OCCC=C(F)C(O)C(C)C.
What is the InChIKey of 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol?
The InChIKey is QKSAESBDBORHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FO2Si/c1-8-11-16(4,5)20(6,7)19-12-9-10-14(17)15(18)13(2)3/h10,13,15,18H,8-9,11-12H2,1-7H3.
What are the key properties of 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol?
7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol has a molecular weight of 304.52 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol is sourced from PubChem (CID 54233189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).