CID 12639584

C12H22Si — CID 12639584

IUPAC—
SMILESC1CCC([Si]C2CCCCC2)CC1
InChIInChI=1S/C12H22Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyTWDYJTLOVCQUPB-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.20
Rot. Bonds2

About CID 12639584

CID 12639584 (PubChem CID 12639584) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol.

Molecular Properties

Compound NameCID 12639584
PubChem CID12639584
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name—
SMILESC1CCC([Si]C2CCCCC2)CC1
InChIInChI=1S/C12H22Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyTWDYJTLOVCQUPB-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 12639584?
The IUPAC name of CID 12639584 (CID 12639584) is not available.
What is the SMILES notation for CID 12639584?
The canonical SMILES for CID 12639584 is C1CCC([Si]C2CCCCC2)CC1.
What is the InChIKey of CID 12639584?
The InChIKey is TWDYJTLOVCQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of CID 12639584?
CID 12639584 has a molecular weight of 194.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12639584 is sourced from PubChem (CID 12639584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).