CID 154594600

C13H19O3Si — CID 154594600

IUPAC—
SMILESO=C1OCCC12CC1CC2CC1OCCC[Si]
InChIInChI=1S/C13H19O3Si/c14-12-13(2-4-16-12)8-9-6-10(13)7-11(9)15-3-1-5-17/h9-11H,1-8H2
InChIKeyRWXURPJWDQGGBL-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.71
Rot. Bonds4

About CID 154594600

CID 154594600 (PubChem CID 154594600) has the molecular formula C13H19O3Si and a molecular weight of 251.38 g/mol.

Molecular Properties

Compound NameCID 154594600
PubChem CID154594600
Molecular FormulaC13H19O3Si
Molecular Weight251.38 g/mol
Exact Mass251.11
IUPAC Name—
SMILESO=C1OCCC12CC1CC2CC1OCCC[Si]
InChIInChI=1S/C13H19O3Si/c14-12-13(2-4-16-12)8-9-6-10(13)7-11(9)15-3-1-5-17/h9-11H,1-8H2
InChIKeyRWXURPJWDQGGBL-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 154594600?
The IUPAC name of CID 154594600 (CID 154594600) is not available.
What is the SMILES notation for CID 154594600?
The canonical SMILES for CID 154594600 is O=C1OCCC12CC1CC2CC1OCCC[Si].
What is the InChIKey of CID 154594600?
The InChIKey is RWXURPJWDQGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O3Si/c14-12-13(2-4-16-12)8-9-6-10(13)7-11(9)15-3-1-5-17/h9-11H,1-8H2.
What are the key properties of CID 154594600?
CID 154594600 has a molecular weight of 251.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154594600 is sourced from PubChem (CID 154594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).