CID 58422049

C10H18O2Si — CID 58422049

IUPAC—
SMILESC=C(C)C(=O)CCOCCC[Si]C
InChIInChI=1S/C10H18O2Si/c1-9(2)10(11)5-7-12-6-4-8-13-3/h1,4-8H2,2-3H3
InChIKeyFAPLZAKEFMERQE-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.10
Rot. Bonds8

About CID 58422049

CID 58422049 (PubChem CID 58422049) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol.

Molecular Properties

Compound NameCID 58422049
PubChem CID58422049
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name—
SMILESC=C(C)C(=O)CCOCCC[Si]C
InChIInChI=1S/C10H18O2Si/c1-9(2)10(11)5-7-12-6-4-8-13-3/h1,4-8H2,2-3H3
InChIKeyFAPLZAKEFMERQE-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.10
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58422049?
The IUPAC name of CID 58422049 (CID 58422049) is not available.
What is the SMILES notation for CID 58422049?
The canonical SMILES for CID 58422049 is C=C(C)C(=O)CCOCCC[Si]C.
What is the InChIKey of CID 58422049?
The InChIKey is FAPLZAKEFMERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-9(2)10(11)5-7-12-6-4-8-13-3/h1,4-8H2,2-3H3.
What are the key properties of CID 58422049?
CID 58422049 has a molecular weight of 198.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58422049 is sourced from PubChem (CID 58422049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).