CID 136772805

C14H28O2Si — CID 136772805

IUPAC—
SMILESCCCCCCCCCCCCC(=O)O[Si]C
InChIInChI=1S/C14H28O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-17-2/h3-13H2,1-2H3
InChIKeyVSTABWHLTOJHLV-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.51
Rot. Bonds12

About CID 136772805

CID 136772805 (PubChem CID 136772805) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol.

Molecular Properties

Compound NameCID 136772805
PubChem CID136772805
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name—
SMILESCCCCCCCCCCCCC(=O)O[Si]C
InChIInChI=1S/C14H28O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-17-2/h3-13H2,1-2H3
InChIKeyVSTABWHLTOJHLV-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.51
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

henicosanoyl docosanoate
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heptanoyl octaneperoxoate
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hexatriacontanoyl heptatriacontanoate
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octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of CID 136772805?
The IUPAC name of CID 136772805 (CID 136772805) is not available.
What is the SMILES notation for CID 136772805?
The canonical SMILES for CID 136772805 is CCCCCCCCCCCCC(=O)O[Si]C.
What is the InChIKey of CID 136772805?
The InChIKey is VSTABWHLTOJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-17-2/h3-13H2,1-2H3.
What are the key properties of CID 136772805?
CID 136772805 has a molecular weight of 256.46 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136772805 is sourced from PubChem (CID 136772805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).