sodium;dodecanoate;triethylsilane

C18H39NaO2Si — CID 174445108

IUPACsodium;dodecanoate;triethylsilane
SMILESCCCCCCCCCCCC(=O)[O-].CC[SiH](CC)CC.[Na+]
InChIInChI=1S/C12H24O2.C6H16Si.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;/h2-11H2,1H3,(H,13,14);7H,4-6H2,1-3H3;/q;;+1/p-1
InChIKeyDKLINWPXPPUMFC-UHFFFAOYSA-M
MW338.58 g/mol
LogP1.93
Rot. Bonds13

About sodium;dodecanoate;triethylsilane

sodium;dodecanoate;triethylsilane (PubChem CID 174445108) has the molecular formula C18H39NaO2Si and a molecular weight of 338.58 g/mol. Its IUPAC name is sodium;dodecanoate;triethylsilane.

Molecular Properties

Compound Namesodium;dodecanoate;triethylsilane
PubChem CID174445108
Molecular FormulaC18H39NaO2Si
Molecular Weight338.58 g/mol
Exact Mass338.26
IUPAC Namesodium;dodecanoate;triethylsilane
SMILESCCCCCCCCCCCC(=O)[O-].CC[SiH](CC)CC.[Na+]
InChIInChI=1S/C12H24O2.C6H16Si.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;/h2-11H2,1H3,(H,13,14);7H,4-6H2,1-3H3;/q;;+1/p-1
InChIKeyDKLINWPXPPUMFC-UHFFFAOYSA-M
XLogP1.93
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 51.93
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'}

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Related Compounds

sodium pentadecanoate
CID 23663638
sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
lithium;sodium;bis(octadecanoate)
CID 159275770
trisodium;octadecanoate;carbonate
CID 162024794
disodium;hexadecanoate;hydride
CID 175497394
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709

Frequently Asked Questions

What is the IUPAC name of sodium;dodecanoate;triethylsilane?
The IUPAC name of sodium;dodecanoate;triethylsilane (CID 174445108) is sodium;dodecanoate;triethylsilane.
What is the SMILES notation for sodium;dodecanoate;triethylsilane?
The canonical SMILES for sodium;dodecanoate;triethylsilane is CCCCCCCCCCCC(=O)[O-].CC[SiH](CC)CC.[Na+].
What is the InChIKey of sodium;dodecanoate;triethylsilane?
The InChIKey is DKLINWPXPPUMFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.C6H16Si.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3;/h2-11H2,1H3,(H,13,14);7H,4-6H2,1-3H3;/q;;+1/p-1.
What are the key properties of sodium;dodecanoate;triethylsilane?
sodium;dodecanoate;triethylsilane has a molecular weight of 338.58 g/mol, XLogP of 1.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecanoate;triethylsilane is sourced from PubChem (CID 174445108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).