ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane

C16H35F3O2Si2 — CID 90394438

IUPACethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane
SMILESCCC(C)(O[Si](C)(C)CC)C(C)(CC)[Si](C)(O)CCC(F)(F)F
InChIInChI=1S/C16H35F3O2Si2/c1-9-14(4,21-22(6,7)11-3)15(5,10-2)23(8,20)13-12-16(17,18)19/h20H,9-13H2,1-8H3
InChIKeyCISXLDMBKKVBIC-UHFFFAOYSA-N
MW372.62 g/mol
LogP6.09
Rot. Bonds9

About ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane

ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane (PubChem CID 90394438) has the molecular formula C16H35F3O2Si2 and a molecular weight of 372.62 g/mol. Its IUPAC name is ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nameethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane
PubChem CID90394438
Molecular FormulaC16H35F3O2Si2
Molecular Weight372.62 g/mol
Exact Mass372.21
IUPAC Nameethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane
SMILESCCC(C)(O[Si](C)(C)CC)C(C)(CC)[Si](C)(O)CCC(F)(F)F
InChIInChI=1S/C16H35F3O2Si2/c1-9-14(4,21-22(6,7)11-3)15(5,10-2)23(8,20)13-12-16(17,18)19/h20H,9-13H2,1-8H3
InChIKeyCISXLDMBKKVBIC-UHFFFAOYSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane?
The IUPAC name of ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane (CID 90394438) is ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane?
The canonical SMILES for ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane is CCC(C)(O[Si](C)(C)CC)C(C)(CC)[Si](C)(O)CCC(F)(F)F.
What is the InChIKey of ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane?
The InChIKey is CISXLDMBKKVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35F3O2Si2/c1-9-14(4,21-22(6,7)11-3)15(5,10-2)23(8,20)13-12-16(17,18)19/h20H,9-13H2,1-8H3.
What are the key properties of ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane?
ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane has a molecular weight of 372.62 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[hydroxy-methyl-(3,3,3-trifluoropropyl)silyl]-3,4-dimethylhexan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 90394438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).