CID 101060248

C15H24IO2Si — CID 101060248

IUPAC—
SMILESCC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I
InChIInChI=1S/C15H24IO2Si/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16/h5-8,10-11H2,1-4H3
InChIKeyWWCRICOIGUJWQU-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.06
Rot. Bonds6

About CID 101060248

CID 101060248 (PubChem CID 101060248) has the molecular formula C15H24IO2Si and a molecular weight of 391.35 g/mol.

Molecular Properties

Compound NameCID 101060248
PubChem CID101060248
Molecular FormulaC15H24IO2Si
Molecular Weight391.35 g/mol
Exact Mass391.06
IUPAC Name—
SMILESCC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I
InChIInChI=1S/C15H24IO2Si/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16/h5-8,10-11H2,1-4H3
InChIKeyWWCRICOIGUJWQU-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101060248?
The IUPAC name of CID 101060248 (CID 101060248) is not available.
What is the SMILES notation for CID 101060248?
The canonical SMILES for CID 101060248 is CC[Si]1(CC)[C]=C2CC(COC)(COC)CC2=C1I.
What is the InChIKey of CID 101060248?
The InChIKey is WWCRICOIGUJWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IO2Si/c1-5-19(6-2)9-12-7-15(10-17-3,11-18-4)8-13(12)14(19)16/h5-8,10-11H2,1-4H3.
What are the key properties of CID 101060248?
CID 101060248 has a molecular weight of 391.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101060248 is sourced from PubChem (CID 101060248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).