hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane

C13H22OSi — CID 70834578

IUPAChydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane
SMILESCc1ccc(CC(C)(C)[Si](C)(C)O)cc1
InChIInChI=1S/C13H22OSi/c1-11-6-8-12(9-7-11)10-13(2,3)15(4,5)14/h6-9,14H,10H2,1-5H3
InChIKeyHIGRUDAHXBDSFB-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.52
Rot. Bonds3

About hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane

hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane (PubChem CID 70834578) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane
PubChem CID70834578
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Namehydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane
SMILESCc1ccc(CC(C)(C)[Si](C)(C)O)cc1
InChIInChI=1S/C13H22OSi/c1-11-6-8-12(9-7-11)10-13(2,3)15(4,5)14/h6-9,14H,10H2,1-5H3
InChIKeyHIGRUDAHXBDSFB-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane?
The IUPAC name of hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane (CID 70834578) is hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane.
What is the SMILES notation for hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane?
The canonical SMILES for hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane is Cc1ccc(CC(C)(C)[Si](C)(C)O)cc1.
What is the InChIKey of hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane?
The InChIKey is HIGRUDAHXBDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-11-6-8-12(9-7-11)10-13(2,3)15(4,5)14/h6-9,14H,10H2,1-5H3.
What are the key properties of hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane?
hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane has a molecular weight of 222.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane is sourced from PubChem (CID 70834578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).