[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol

C21H28OSi — CID 177440455

IUPAC[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol
SMILESCc1ccccc1/C=C(/C(C)(C)C)[Si](C)(CO)c1ccccc1
InChIInChI=1S/C21H28OSi/c1-17-11-9-10-12-18(17)15-20(21(2,3)4)23(5,16-22)19-13-7-6-8-14-19/h6-15,22H,16H2,1-5H3/b20-15-
InChIKeyIIZCIWWIZIIEJN-HKWRFOASSA-N
MW324.54 g/mol
LogP4.48
Rot. Bonds4

About [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol

[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol (PubChem CID 177440455) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol.

Molecular Properties

Compound Name[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol
PubChem CID177440455
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Name[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol
SMILESCc1ccccc1/C=C(/C(C)(C)C)[Si](C)(CO)c1ccccc1
InChIInChI=1S/C21H28OSi/c1-17-11-9-10-12-18(17)15-20(21(2,3)4)23(5,16-22)19-13-7-6-8-14-19/h6-15,22H,16H2,1-5H3/b20-15-
InChIKeyIIZCIWWIZIIEJN-HKWRFOASSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.48
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 [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol?
The IUPAC name of [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol (CID 177440455) is [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol.
What is the SMILES notation for [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol?
The canonical SMILES for [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol is Cc1ccccc1/C=C(/C(C)(C)C)[Si](C)(CO)c1ccccc1.
What is the InChIKey of [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol?
The InChIKey is IIZCIWWIZIIEJN-HKWRFOASSA-N. The full InChI is InChI=1S/C21H28OSi/c1-17-11-9-10-12-18(17)15-20(21(2,3)4)23(5,16-22)19-13-7-6-8-14-19/h6-15,22H,16H2,1-5H3/b20-15-.
What are the key properties of [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol?
[[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol has a molecular weight of 324.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-methyl-phenylsilyl]methanol is sourced from PubChem (CID 177440455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).