methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate

C25H68O4Si2 — CID 159143525

IUPACmethanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate
SMILESC=CCC(C)OC.CCC.CCC.CCCC(C)O.CO.C[SiH](C)C.C[Si](C)(C)C.O
InChIInChI=1S/C6H12O.C5H12O.C4H12Si.C3H10Si.2C3H8.CH4O.H2O/c1-4-5-6(2)7-3;1-3-4-5(2)6;1-5(2,3)4;1-4(2)3;2*1-3-2;1-2;/h4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;1-4H3;4H,1-3H3;2*3H2,1-2H3;2H,1H3;1H2
InChIKeyVRRCWHYFGXELBX-UHFFFAOYSA-N
MW488.99 g/mol
LogP7.44
Rot. Bonds5

About methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate

methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate (PubChem CID 159143525) has the molecular formula C25H68O4Si2 and a molecular weight of 488.99 g/mol. Its IUPAC name is methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate.

Molecular Properties

Compound Namemethanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate
PubChem CID159143525
Molecular FormulaC25H68O4Si2
Molecular Weight488.99 g/mol
Exact Mass488.47
IUPAC Namemethanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate
SMILESC=CCC(C)OC.CCC.CCC.CCCC(C)O.CO.C[SiH](C)C.C[Si](C)(C)C.O
InChIInChI=1S/C6H12O.C5H12O.C4H12Si.C3H10Si.2C3H8.CH4O.H2O/c1-4-5-6(2)7-3;1-3-4-5(2)6;1-5(2,3)4;1-4(2)3;2*1-3-2;1-2;/h4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;1-4H3;4H,1-3H3;2*3H2,1-2H3;2H,1H3;1H2
InChIKeyVRRCWHYFGXELBX-UHFFFAOYSA-N
XLogP7.44
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate?
The IUPAC name of methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate (CID 159143525) is methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate.
What is the SMILES notation for methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate?
The canonical SMILES for methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate is C=CCC(C)OC.CCC.CCC.CCCC(C)O.CO.C[SiH](C)C.C[Si](C)(C)C.O.
What is the InChIKey of methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate?
The InChIKey is VRRCWHYFGXELBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H12O.C4H12Si.C3H10Si.2C3H8.CH4O.H2O/c1-4-5-6(2)7-3;1-3-4-5(2)6;1-5(2,3)4;1-4(2)3;2*1-3-2;1-2;/h4,6H,1,5H2,2-3H3;5-6H,3-4H2,1-2H3;1-4H3;4H,1-3H3;2*3H2,1-2H3;2H,1H3;1H2.
What are the key properties of methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate?
methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate has a molecular weight of 488.99 g/mol, XLogP of 7.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate is sourced from PubChem (CID 159143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).