CID 164909833

C13H27NO5Si — CID 164909833

IUPAC—
SMILESO=C([O-])CCCCCCCCCCC[NH2+]COO[Si]O
InChIInChI=1S/C13H27NO5Si/c15-13(16)10-8-6-4-2-1-3-5-7-9-11-14-12-18-19-20-17/h14,17H,1-12H2,(H,15,16)
InChIKeyHMLDRZCFGXINKY-UHFFFAOYSA-N
MW305.45 g/mol
LogP-0.37
Rot. Bonds16

About CID 164909833

CID 164909833 (PubChem CID 164909833) has the molecular formula C13H27NO5Si and a molecular weight of 305.45 g/mol.

Molecular Properties

Compound NameCID 164909833
PubChem CID164909833
Molecular FormulaC13H27NO5Si
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name—
SMILESO=C([O-])CCCCCCCCCCC[NH2+]COO[Si]O
InChIInChI=1S/C13H27NO5Si/c15-13(16)10-8-6-4-2-1-3-5-7-9-11-14-12-18-19-20-17/h14,17H,1-12H2,(H,15,16)
InChIKeyHMLDRZCFGXINKY-UHFFFAOYSA-N
XLogP-0.37
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074

Frequently Asked Questions

What is the IUPAC name of CID 164909833?
The IUPAC name of CID 164909833 (CID 164909833) is not available.
What is the SMILES notation for CID 164909833?
The canonical SMILES for CID 164909833 is O=C([O-])CCCCCCCCCCC[NH2+]COO[Si]O.
What is the InChIKey of CID 164909833?
The InChIKey is HMLDRZCFGXINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5Si/c15-13(16)10-8-6-4-2-1-3-5-7-9-11-14-12-18-19-20-17/h14,17H,1-12H2,(H,15,16).
What are the key properties of CID 164909833?
CID 164909833 has a molecular weight of 305.45 g/mol, XLogP of -0.37, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164909833 is sourced from PubChem (CID 164909833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).