CID 162352713

C12H26NO2Si — CID 162352713

IUPAC—
SMILESCCO[Si](OCC)C(C)CC/N=C(\C)CC
InChIInChI=1S/C12H26NO2Si/c1-6-11(4)13-10-9-12(5)16(14-7-2)15-8-3/h12H,6-10H2,1-5H3/b13-11+
InChIKeyQASMJBNFOPTSAM-ACCUITESSA-N
MW244.43 g/mol
LogP3.20
Rot. Bonds9

About CID 162352713

CID 162352713 (PubChem CID 162352713) has the molecular formula C12H26NO2Si and a molecular weight of 244.43 g/mol.

Molecular Properties

Compound NameCID 162352713
PubChem CID162352713
Molecular FormulaC12H26NO2Si
Molecular Weight244.43 g/mol
Exact Mass244.17
IUPAC Name—
SMILESCCO[Si](OCC)C(C)CC/N=C(\C)CC
InChIInChI=1S/C12H26NO2Si/c1-6-11(4)13-10-9-12(5)16(14-7-2)15-8-3/h12H,6-10H2,1-5H3/b13-11+
InChIKeyQASMJBNFOPTSAM-ACCUITESSA-N
XLogP3.20
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 136913426
CID 136913426
N-(3-dipropoxysilylpropyl)butan-2-imine
CID 123900249
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
N-(3-ethoxytridecyl)-4-methylpentan-2-imine
CID 151135054
N-propan-2-ylbutan-2-imine
CID 535666
N-[3-[methoxy(dimethyl)silyl]propyl]butan-2-imine
CID 87583727
N-(2-methylbutoxy)butan-2-imine
CID 123385525
N-ethoxybutan-2-imine
CID 54202913
CID 162352708
CID 162352708
CID 87772265
CID 87772265
CID 22717337
CID 22717337
methyl N-(3-methylbutyl)ethanimidothioate
CID 123317974

Frequently Asked Questions

What is the IUPAC name of CID 162352713?
The IUPAC name of CID 162352713 (CID 162352713) is not available.
What is the SMILES notation for CID 162352713?
The canonical SMILES for CID 162352713 is CCO[Si](OCC)C(C)CC/N=C(\C)CC.
What is the InChIKey of CID 162352713?
The InChIKey is QASMJBNFOPTSAM-ACCUITESSA-N. The full InChI is InChI=1S/C12H26NO2Si/c1-6-11(4)13-10-9-12(5)16(14-7-2)15-8-3/h12H,6-10H2,1-5H3/b13-11+.
What are the key properties of CID 162352713?
CID 162352713 has a molecular weight of 244.43 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162352713 is sourced from PubChem (CID 162352713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).