methylsilyl 12-ethoxydodecanoate

C15H32O3Si — CID 148919463

IUPACmethylsilyl 12-ethoxydodecanoate
SMILESCCOCCCCCCCCCCCC(=O)O[SiH2]C
InChIInChI=1S/C15H32O3Si/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(16)18-19-2/h3-14,19H2,1-2H3
InChIKeyZDZYJOPCJWDIPK-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.60
Rot. Bonds14

About methylsilyl 12-ethoxydodecanoate

methylsilyl 12-ethoxydodecanoate (PubChem CID 148919463) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is methylsilyl 12-ethoxydodecanoate.

Molecular Properties

Compound Namemethylsilyl 12-ethoxydodecanoate
PubChem CID148919463
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Namemethylsilyl 12-ethoxydodecanoate
SMILESCCOCCCCCCCCCCCC(=O)O[SiH2]C
InChIInChI=1S/C15H32O3Si/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(16)18-19-2/h3-14,19H2,1-2H3
InChIKeyZDZYJOPCJWDIPK-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxypentaneperoxoic acid
CID 59169108
octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 5-ethoxypentanoate
CID 134561600
octyl 6-ethoxyhexanoate
CID 134561594
1,9-diethoxynonan-5-one
CID 150666797
6-ethoxyhexyl 7-sulfanylheptanoate
CID 54496855
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
octyl 4-ethoxybutanoate
CID 134561601
cycloheptyl 6-ethoxyhexanoate
CID 134561724
2-methylpropyl 5-ethoxypentanoate
CID 134561758
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
CID 91739044

Frequently Asked Questions

What is the IUPAC name of methylsilyl 12-ethoxydodecanoate?
The IUPAC name of methylsilyl 12-ethoxydodecanoate (CID 148919463) is methylsilyl 12-ethoxydodecanoate.
What is the SMILES notation for methylsilyl 12-ethoxydodecanoate?
The canonical SMILES for methylsilyl 12-ethoxydodecanoate is CCOCCCCCCCCCCCC(=O)O[SiH2]C.
What is the InChIKey of methylsilyl 12-ethoxydodecanoate?
The InChIKey is ZDZYJOPCJWDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15(16)18-19-2/h3-14,19H2,1-2H3.
What are the key properties of methylsilyl 12-ethoxydodecanoate?
methylsilyl 12-ethoxydodecanoate has a molecular weight of 288.50 g/mol, XLogP of 3.60, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsilyl 12-ethoxydodecanoate is sourced from PubChem (CID 148919463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).