CID 136836120

C14H21Si — CID 136836120

IUPAC—
SMILESCC(C)=CCC[Si](C)c1ccc(C)cc1
InChIInChI=1S/C14H21Si/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-10H,5,11H2,1-4H3
InChIKeyKQQPONOTNJZSNR-UHFFFAOYSA-N
MW217.41 g/mol
LogP3.68
Rot. Bonds4

About CID 136836120

CID 136836120 (PubChem CID 136836120) has the molecular formula C14H21Si and a molecular weight of 217.41 g/mol.

Molecular Properties

Compound NameCID 136836120
PubChem CID136836120
Molecular FormulaC14H21Si
Molecular Weight217.41 g/mol
Exact Mass217.14
IUPAC Name—
SMILESCC(C)=CCC[Si](C)c1ccc(C)cc1
InChIInChI=1S/C14H21Si/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-10H,5,11H2,1-4H3
InChIKeyKQQPONOTNJZSNR-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136836120?
The IUPAC name of CID 136836120 (CID 136836120) is not available.
What is the SMILES notation for CID 136836120?
The canonical SMILES for CID 136836120 is CC(C)=CCC[Si](C)c1ccc(C)cc1.
What is the InChIKey of CID 136836120?
The InChIKey is KQQPONOTNJZSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Si/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-10H,5,11H2,1-4H3.
What are the key properties of CID 136836120?
CID 136836120 has a molecular weight of 217.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136836120 is sourced from PubChem (CID 136836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).