CID 66774443

C12H18OSi — CID 66774443

IUPAC—
SMILESCC(C)O[Si]c1ccccc1C(C)C
InChIInChI=1S/C12H18OSi/c1-9(2)11-7-5-6-8-12(11)14-13-10(3)4/h5-10H,1-4H3
InChIKeyKWDILQDFSRASST-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.48
Rot. Bonds4

About CID 66774443

CID 66774443 (PubChem CID 66774443) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol.

Molecular Properties

Compound NameCID 66774443
PubChem CID66774443
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name—
SMILESCC(C)O[Si]c1ccccc1C(C)C
InChIInChI=1S/C12H18OSi/c1-9(2)11-7-5-6-8-12(11)14-13-10(3)4/h5-10H,1-4H3
InChIKeyKWDILQDFSRASST-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(difluoromethyl)-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 66774443?
The IUPAC name of CID 66774443 (CID 66774443) is not available.
What is the SMILES notation for CID 66774443?
The canonical SMILES for CID 66774443 is CC(C)O[Si]c1ccccc1C(C)C.
What is the InChIKey of CID 66774443?
The InChIKey is KWDILQDFSRASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-9(2)11-7-5-6-8-12(11)14-13-10(3)4/h5-10H,1-4H3.
What are the key properties of CID 66774443?
CID 66774443 has a molecular weight of 206.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66774443 is sourced from PubChem (CID 66774443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).