CID 59470608

C12H23O2Si — CID 59470608

IUPAC—
SMILESCOC(=O)CCCCCCCCCC[Si]
InChIInChI=1S/C12H23O2Si/c1-14-12(13)10-8-6-4-2-3-5-7-9-11-15/h2-11H2,1H3
InChIKeyHIJFCDLPPWWYIV-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.26
Rot. Bonds10

About CID 59470608

CID 59470608 (PubChem CID 59470608) has the molecular formula C12H23O2Si and a molecular weight of 227.40 g/mol.

Molecular Properties

Compound NameCID 59470608
PubChem CID59470608
Molecular FormulaC12H23O2Si
Molecular Weight227.40 g/mol
Exact Mass227.15
IUPAC Name—
SMILESCOC(=O)CCCCCCCCCC[Si]
InChIInChI=1S/C12H23O2Si/c1-14-12(13)10-8-6-4-2-3-5-7-9-11-15/h2-11H2,1H3
InChIKeyHIJFCDLPPWWYIV-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.26
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

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 20-bromoicosanoate
CID 155895697
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl heptadecanoate
CID 15609
methyl 7-oxooctanoate
CID 539108
methyl tetradecanoate
CID 89052795

Frequently Asked Questions

What is the IUPAC name of CID 59470608?
The IUPAC name of CID 59470608 (CID 59470608) is not available.
What is the SMILES notation for CID 59470608?
The canonical SMILES for CID 59470608 is COC(=O)CCCCCCCCCC[Si].
What is the InChIKey of CID 59470608?
The InChIKey is HIJFCDLPPWWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si/c1-14-12(13)10-8-6-4-2-3-5-7-9-11-15/h2-11H2,1H3.
What are the key properties of CID 59470608?
CID 59470608 has a molecular weight of 227.40 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59470608 is sourced from PubChem (CID 59470608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).