hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate

C18H53O4Si2+ — CID 160921405

IUPAChydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate
SMILESC.C.CCC(CC)O[Si](C)(C)C.CCC(O)CC.C[Si](C)(C)O.O.[H+]
InChIInChI=1S/C8H20OSi.C5H12O.C3H10OSi.2CH4.H2O/c1-6-8(7-2)9-10(3,4)5;1-3-5(6)4-2;1-5(2,3)4;;;/h8H,6-7H2,1-5H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4;1H2/p+1
InChIKeyUFVAQVOCTLGIIO-UHFFFAOYSA-O
MW389.79 g/mol
LogP5.57
Rot. Bonds6

About hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate

hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate (PubChem CID 160921405) has the molecular formula C18H53O4Si2+ and a molecular weight of 389.79 g/mol. Its IUPAC name is hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate.

Molecular Properties

Compound Namehydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate
PubChem CID160921405
Molecular FormulaC18H53O4Si2+
Molecular Weight389.79 g/mol
Exact Mass389.35
IUPAC Namehydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate
SMILESC.C.CCC(CC)O[Si](C)(C)C.CCC(O)CC.C[Si](C)(C)O.O.[H+]
InChIInChI=1S/C8H20OSi.C5H12O.C3H10OSi.2CH4.H2O/c1-6-8(7-2)9-10(3,4)5;1-3-5(6)4-2;1-5(2,3)4;;;/h8H,6-7H2,1-5H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4;1H2/p+1
InChIKeyUFVAQVOCTLGIIO-UHFFFAOYSA-O
XLogP5.57
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.79
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentan-3-ol
CID 11428
pentan-3-ol;dihydrochloride
CID 141116397
dimethyl-pentan-3-yloxy-trimethylsilyloxysilane
CID 169004252
butan-2-ol;methane;pentan-3-ol
CID 160881005
1-fluorobutan-2-ol
CID 13278453
dihydroxy-bis(trimethylsilyloxy)phosphanium
CID 87514134
N-methylmethanamine;pentan-3-ol
CID 143532118
trihydroxy(trimethylsilyloxy)phosphanium
CID 141174362
decan-5-yloxy(trimethyl)silane
CID 553210
butane-1,2-diol;methane
CID 158754649
methane;1-methoxybutan-2-ol
CID 161499525
trimethyl(1-silylpropoxy)silane
CID 123322107

Frequently Asked Questions

What is the IUPAC name of hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate?
The IUPAC name of hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate (CID 160921405) is hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate.
What is the SMILES notation for hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate?
The canonical SMILES for hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate is C.C.CCC(CC)O[Si](C)(C)C.CCC(O)CC.C[Si](C)(C)O.O.[H+].
What is the InChIKey of hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate?
The InChIKey is UFVAQVOCTLGIIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H20OSi.C5H12O.C3H10OSi.2CH4.H2O/c1-6-8(7-2)9-10(3,4)5;1-3-5(6)4-2;1-5(2,3)4;;;/h8H,6-7H2,1-5H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4;1H2/p+1.
What are the key properties of hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate?
hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate has a molecular weight of 389.79 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;hydroxy(trimethyl)silane;methane;pentan-3-ol;trimethyl(pentan-3-yloxy)silane;hydrate is sourced from PubChem (CID 160921405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).