CID 151355470

C18H28ClNO3Si — CID 151355470

IUPAC—
SMILESCCN(CCc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)O
InChIInChI=1S/C18H28ClNO3Si/c1-7-20(16(21)22)11-10-13-8-9-15(19)14(12-13)18(5,6)23-24-17(2,3)4/h8-9,12H,7,10-11H2,1-6H3,(H,21,22)
InChIKeyIKDDFCISHBUKMC-UHFFFAOYSA-N
MW369.97 g/mol
LogP4.97
Rot. Bonds7

About CID 151355470

CID 151355470 (PubChem CID 151355470) has the molecular formula C18H28ClNO3Si and a molecular weight of 369.97 g/mol.

Molecular Properties

Compound NameCID 151355470
PubChem CID151355470
Molecular FormulaC18H28ClNO3Si
Molecular Weight369.97 g/mol
Exact Mass369.15
IUPAC Name—
SMILESCCN(CCc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)O
InChIInChI=1S/C18H28ClNO3Si/c1-7-20(16(21)22)11-10-13-8-9-15(19)14(12-13)18(5,6)23-24-17(2,3)4/h8-9,12H,7,10-11H2,1-6H3,(H,21,22)
InChIKeyIKDDFCISHBUKMC-UHFFFAOYSA-N
XLogP4.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.97
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 151355470?
The IUPAC name of CID 151355470 (CID 151355470) is not available.
What is the SMILES notation for CID 151355470?
The canonical SMILES for CID 151355470 is CCN(CCc1ccc(Cl)c(C(C)(C)O[Si]C(C)(C)C)c1)C(=O)O.
What is the InChIKey of CID 151355470?
The InChIKey is IKDDFCISHBUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO3Si/c1-7-20(16(21)22)11-10-13-8-9-15(19)14(12-13)18(5,6)23-24-17(2,3)4/h8-9,12H,7,10-11H2,1-6H3,(H,21,22).
What are the key properties of CID 151355470?
CID 151355470 has a molecular weight of 369.97 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151355470 is sourced from PubChem (CID 151355470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).