1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane

C13H24F6O5Si — CID 91536609

IUPAC1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane
SMILESCCC(O)C(=O)O.CCCO[Si](C)(C)C.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H16OSi.C4H8O3.C3F6O/c1-5-6-7-8(2,3)4;1-2-3(5)4(6)7;4-2(5,6)1(10)3(7,8)9/h5-6H2,1-4H3;3,5H,2H2,1H3,(H,6,7);
InChIKeyVYWCFLNNYLISDN-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.77
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane

1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane (PubChem CID 91536609) has the molecular formula C13H24F6O5Si and a molecular weight of 402.40 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane
PubChem CID91536609
Molecular FormulaC13H24F6O5Si
Molecular Weight402.40 g/mol
Exact Mass402.13
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane
SMILESCCC(O)C(=O)O.CCCO[Si](C)(C)C.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H16OSi.C4H8O3.C3F6O/c1-5-6-7-8(2,3)4;1-2-3(5)4(6)7;4-2(5,6)1(10)3(7,8)9/h5-6H2,1-4H3;3,5H,2H2,1H3,(H,6,7);
InChIKeyVYWCFLNNYLISDN-UHFFFAOYSA-N
XLogP3.77
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 15724589

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane (CID 91536609) is 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane is CCC(O)C(=O)O.CCCO[Si](C)(C)C.O=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane?
The InChIKey is VYWCFLNNYLISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSi.C4H8O3.C3F6O/c1-5-6-7-8(2,3)4;1-2-3(5)4(6)7;4-2(5,6)1(10)3(7,8)9/h5-6H2,1-4H3;3,5H,2H2,1H3,(H,6,7);.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane?
1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane has a molecular weight of 402.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane is sourced from PubChem (CID 91536609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).