4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol

C11H25FOSi — CID 10727675

IUPAC4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol
SMILESCCCC(O)(CCC)CC[Si](C)(C)F
InChIInChI=1S/C11H25FOSi/c1-5-7-11(13,8-6-2)9-10-14(3,4)12/h13H,5-10H2,1-4H3
InChIKeyKENAOZAVSKJGSL-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.88
Rot. Bonds7

About 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol

4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol (PubChem CID 10727675) has the molecular formula C11H25FOSi and a molecular weight of 220.40 g/mol. Its IUPAC name is 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol.

Molecular Properties

Compound Name4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol
PubChem CID10727675
Molecular FormulaC11H25FOSi
Molecular Weight220.40 g/mol
Exact Mass220.17
IUPAC Name4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol
SMILESCCCC(O)(CCC)CC[Si](C)(C)F
InChIInChI=1S/C11H25FOSi/c1-5-7-11(13,8-6-2)9-10-14(3,4)12/h13H,5-10H2,1-4H3
InChIKeyKENAOZAVSKJGSL-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-Trimethylsilylmethylcyclohexanol
CID 4128986
cis-(1S,3S)-1-methyl-3-trimethylsilylcyclohexan-1-ol
CID 11074122
2-Methyl-4-trimethylsilylheptan-2-ol
CID 85843087
trans-(1R,2R)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 101091246
5-Hydroxy-5,5-dimethylpentyl-trimethylsilane
CID 129828664
cis-(1R,2S)-1-propyl-2-trimethylsilylcyclopropan-1-ol
CID 134997612
1-[2-[Fluoro(dimethyl)silyl]ethyl]cyclohexan-1-ol
CID 10679735
1-[2-[Fluoro(dimethyl)silyl]ethyl]cyclopentan-1-ol
CID 45098643
4-Propyl-1-(trimethylsilyl)-1-heptyn-4-ol
CID 12653261
1-Trimethylsilylmethylcyclopentanol
CID 23496719
1-(2-Trimethylsilylethyl)cyclopentanol
CID 23496723
4-Methyl-1-triethylsilyloct-1-yn-4-ol
CID 85976280

Frequently Asked Questions

What is the IUPAC name of 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol?
The IUPAC name of 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol (CID 10727675) is 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol.
What is the SMILES notation for 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol?
The canonical SMILES for 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol is CCCC(O)(CCC)CC[Si](C)(C)F.
What is the InChIKey of 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol?
The InChIKey is KENAOZAVSKJGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FOSi/c1-5-7-11(13,8-6-2)9-10-14(3,4)12/h13H,5-10H2,1-4H3.
What are the key properties of 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol?
4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol has a molecular weight of 220.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[fluoro(dimethyl)silyl]ethyl]heptan-4-ol is sourced from PubChem (CID 10727675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).