hexyl 3-[difluoro(methyl)silyl]propanoate

C10H20F2O2Si — CID 174136171

IUPAChexyl 3-[difluoro(methyl)silyl]propanoate
SMILESCCCCCCOC(=O)CC[Si](C)(F)F
InChIInChI=1S/C10H20F2O2Si/c1-3-4-5-6-8-14-10(13)7-9-15(2,11)12/h3-9H2,1-2H3
InChIKeyJWUDRMQVXIVFBY-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.51
Rot. Bonds8

About hexyl 3-[difluoro(methyl)silyl]propanoate

hexyl 3-[difluoro(methyl)silyl]propanoate (PubChem CID 174136171) has the molecular formula C10H20F2O2Si and a molecular weight of 238.35 g/mol. Its IUPAC name is hexyl 3-[difluoro(methyl)silyl]propanoate.

Molecular Properties

Compound Namehexyl 3-[difluoro(methyl)silyl]propanoate
PubChem CID174136171
Molecular FormulaC10H20F2O2Si
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Namehexyl 3-[difluoro(methyl)silyl]propanoate
SMILESCCCCCCOC(=O)CC[Si](C)(F)F
InChIInChI=1S/C10H20F2O2Si/c1-3-4-5-6-8-14-10(13)7-9-15(2,11)12/h3-9H2,1-2H3
InChIKeyJWUDRMQVXIVFBY-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
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': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexyl 3-[difluoro(methyl)silyl]propanoate?
The IUPAC name of hexyl 3-[difluoro(methyl)silyl]propanoate (CID 174136171) is hexyl 3-[difluoro(methyl)silyl]propanoate.
What is the SMILES notation for hexyl 3-[difluoro(methyl)silyl]propanoate?
The canonical SMILES for hexyl 3-[difluoro(methyl)silyl]propanoate is CCCCCCOC(=O)CC[Si](C)(F)F.
What is the InChIKey of hexyl 3-[difluoro(methyl)silyl]propanoate?
The InChIKey is JWUDRMQVXIVFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O2Si/c1-3-4-5-6-8-14-10(13)7-9-15(2,11)12/h3-9H2,1-2H3.
What are the key properties of hexyl 3-[difluoro(methyl)silyl]propanoate?
hexyl 3-[difluoro(methyl)silyl]propanoate has a molecular weight of 238.35 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 3-[difluoro(methyl)silyl]propanoate is sourced from PubChem (CID 174136171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).