CID 134944583

C16H35N2O4Si — CID 134944583

IUPAC—
SMILESCCO[Si](CCCNC1CC(C)(C)N([O])C(C)(C)C1)(OC)OC
InChIInChI=1S/C16H35N2O4Si/c1-8-22-23(20-6,21-7)11-9-10-17-14-12-15(2,3)18(19)16(4,5)13-14/h14,17H,8-13H2,1-7H3
InChIKeyKQLSBFXFVHPWOD-UHFFFAOYSA-N
MW347.55 g/mol
LogP2.60
Rot. Bonds9

About CID 134944583

CID 134944583 (PubChem CID 134944583) has the molecular formula C16H35N2O4Si and a molecular weight of 347.55 g/mol.

Molecular Properties

Compound NameCID 134944583
PubChem CID134944583
Molecular FormulaC16H35N2O4Si
Molecular Weight347.55 g/mol
Exact Mass347.24
IUPAC Name—
SMILESCCO[Si](CCCNC1CC(C)(C)N([O])C(C)(C)C1)(OC)OC
InChIInChI=1S/C16H35N2O4Si/c1-8-22-23(20-6,21-7)11-9-10-17-14-12-15(2,3)18(19)16(4,5)13-14/h14,17H,8-13H2,1-7H3
InChIKeyKQLSBFXFVHPWOD-UHFFFAOYSA-N
XLogP2.60
TPSA62.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134944583?
The IUPAC name of CID 134944583 (CID 134944583) is not available.
What is the SMILES notation for CID 134944583?
The canonical SMILES for CID 134944583 is CCO[Si](CCCNC1CC(C)(C)N([O])C(C)(C)C1)(OC)OC.
What is the InChIKey of CID 134944583?
The InChIKey is KQLSBFXFVHPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N2O4Si/c1-8-22-23(20-6,21-7)11-9-10-17-14-12-15(2,3)18(19)16(4,5)13-14/h14,17H,8-13H2,1-7H3.
What are the key properties of CID 134944583?
CID 134944583 has a molecular weight of 347.55 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134944583 is sourced from PubChem (CID 134944583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).