CID 134981513

C14H26OSSiW- — CID 134981513

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[W]=S.[CH2-][Si](C)(C)C
InChIInChI=1S/C10H15.C4H11Si.O.S.W/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;
InChIKeyMUENOPAETDJATL-UHFFFAOYSA-N
MW454.35 g/mol
LogP5.49
Rot. Bonds

About CID 134981513

CID 134981513 (PubChem CID 134981513) has the molecular formula C14H26OSSiW- and a molecular weight of 454.35 g/mol.

Molecular Properties

Compound NameCID 134981513
PubChem CID134981513
Molecular FormulaC14H26OSSiW-
Molecular Weight454.35 g/mol
Exact Mass454.10
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[W]=S.[CH2-][Si](C)(C)C
InChIInChI=1S/C10H15.C4H11Si.O.S.W/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;
InChIKeyMUENOPAETDJATL-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.35
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 134981513 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134981513?
The IUPAC name of CID 134981513 (CID 134981513) is not available.
What is the SMILES notation for CID 134981513?
The canonical SMILES for CID 134981513 is C[C]1C(C)=C(C)C(C)=C1C.O=[W]=S.[CH2-][Si](C)(C)C.
What is the InChIKey of CID 134981513?
The InChIKey is MUENOPAETDJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C4H11Si.O.S.W/c1-6-7(2)9(4)10(5)8(6)3;1-5(2,3)4;;;/h1-5H3;1H2,2-4H3;;;/q;-1;;;.
What are the key properties of CID 134981513?
CID 134981513 has a molecular weight of 454.35 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981513 is sourced from PubChem (CID 134981513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).