CID 175853701

C12H22Si — CID 175853701

IUPAC—
SMILESCCC(=C[Si]C=C(CC)CC)CC
InChIInChI=1S/C12H22Si/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyJKWYPQOBYAJQHH-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.10
Rot. Bonds6

About CID 175853701

CID 175853701 (PubChem CID 175853701) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol.

Molecular Properties

Compound NameCID 175853701
PubChem CID175853701
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name—
SMILESCCC(=C[Si]C=C(CC)CC)CC
InChIInChI=1S/C12H22Si/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyJKWYPQOBYAJQHH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.10
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 175853701?
The IUPAC name of CID 175853701 (CID 175853701) is not available.
What is the SMILES notation for CID 175853701?
The canonical SMILES for CID 175853701 is CCC(=C[Si]C=C(CC)CC)CC.
What is the InChIKey of CID 175853701?
The InChIKey is JKWYPQOBYAJQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-5-11(6-2)9-13-10-12(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of CID 175853701?
CID 175853701 has a molecular weight of 194.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175853701 is sourced from PubChem (CID 175853701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).