CID 135046796

C27H49Si2U- — CID 135046796

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[U]
InChIInChI=1S/2C10H15.C7H19Si2.U/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyUFSTWDCOIUFPRW-UHFFFAOYSA-N
MW667.89 g/mol
LogP8.89
Rot. Bonds2

About CID 135046796

CID 135046796 (PubChem CID 135046796) has the molecular formula C27H49Si2U- and a molecular weight of 667.89 g/mol.

Molecular Properties

Compound NameCID 135046796
PubChem CID135046796
Molecular FormulaC27H49Si2U-
Molecular Weight667.89 g/mol
Exact Mass667.39
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[U]
InChIInChI=1S/2C10H15.C7H19Si2.U/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyUFSTWDCOIUFPRW-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.89
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 135046796 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 135046796?
The IUPAC name of CID 135046796 (CID 135046796) is not available.
What is the SMILES notation for CID 135046796?
The canonical SMILES for CID 135046796 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[U].
What is the InChIKey of CID 135046796?
The InChIKey is UFSTWDCOIUFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.U/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;.
What are the key properties of CID 135046796?
CID 135046796 has a molecular weight of 667.89 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046796 is sourced from PubChem (CID 135046796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).