methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane

C23H45F3O2Si2 — CID 173269411

IUPACmethyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane
SMILESCCCCCCCC[SiH](C)C1(C2([SiH](C)CCC(F)(F)F)CCCCO2)CCCCO1
InChIInChI=1S/C23H45F3O2Si2/c1-4-5-6-7-8-13-19-29(2)21(14-9-11-17-27-21)22(15-10-12-18-28-22)30(3)20-16-23(24,25)26/h29-30H,4-20H2,1-3H3
InChIKeyRVUUMTWWPJCMRX-UHFFFAOYSA-N
MW466.78 g/mol
LogP6.97
Rot. Bonds12

About methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane

methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane (PubChem CID 173269411) has the molecular formula C23H45F3O2Si2 and a molecular weight of 466.78 g/mol. Its IUPAC name is methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namemethyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane
PubChem CID173269411
Molecular FormulaC23H45F3O2Si2
Molecular Weight466.78 g/mol
Exact Mass466.29
IUPAC Namemethyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane
SMILESCCCCCCCC[SiH](C)C1(C2([SiH](C)CCC(F)(F)F)CCCCO2)CCCCO1
InChIInChI=1S/C23H45F3O2Si2/c1-4-5-6-7-8-13-19-29(2)21(14-9-11-17-27-21)22(15-10-12-18-28-22)30(3)20-16-23(24,25)26/h29-30H,4-20H2,1-3H3
InChIKeyRVUUMTWWPJCMRX-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 56.97
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'}

Analyze methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane with MolForge

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Related Compounds

hydron;methyl-[2-(2-methylsilyloxan-2-yl)oxan-2-yl]-octylsilane
CID 174990837
[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
CID 173177427
4-[[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine
CID 173419870
1,1,1-trifluorohexadecane
CID 15685316
dimethyl-(2-nonadecyloxan-2-yl)silane
CID 123381565
2-hexyl-2-methyloxane
CID 67835603
dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
tetrabutyl-(2-dimethylsilyloxan-2-yl)-λ5-phosphane
CID 173221020
(2-butyloxan-2-yl)-dimethylsilane
CID 123761011
(2-hexyloxan-2-yl)silane
CID 123313847
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538
5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 113327153

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane (CID 173269411) is methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane is CCCCCCCC[SiH](C)C1(C2([SiH](C)CCC(F)(F)F)CCCCO2)CCCCO1.
What is the InChIKey of methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is RVUUMTWWPJCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45F3O2Si2/c1-4-5-6-7-8-13-19-29(2)21(14-9-11-17-27-21)22(15-10-12-18-28-22)30(3)20-16-23(24,25)26/h29-30H,4-20H2,1-3H3.
What are the key properties of methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane?
methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 466.78 g/mol, XLogP of 6.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[2-[methyl(octyl)silyl]oxan-2-yl]oxan-2-yl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 173269411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).