5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole

C14H22OSi — CID 135066637

IUPAC5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole
SMILESCc1ccc2c(c1)C[Si](C(C)C)(C(C)C)O2
InChIInChI=1S/C14H22OSi/c1-10(2)16(11(3)4)9-13-8-12(5)6-7-14(13)15-16/h6-8,10-11H,9H2,1-5H3
InChIKeyWUCDAZHSFMTFJV-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.23
Rot. Bonds2

About 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole

5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole (PubChem CID 135066637) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole.

Molecular Properties

Compound Name5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole
PubChem CID135066637
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole
SMILESCc1ccc2c(c1)C[Si](C(C)C)(C(C)C)O2
InChIInChI=1S/C14H22OSi/c1-10(2)16(11(3)4)9-13-8-12(5)6-7-14(13)15-16/h6-8,10-11H,9H2,1-5H3
InChIKeyWUCDAZHSFMTFJV-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.23
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

5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
5-methyl-2,3-dihydro-1,2-benzoxazole
CID 143429247
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
2-(difluoromethyl)-5-methyl-2,3-dihydro-1-benzofuran;ethane
CID 145338272
2-[2-(bromomethyl)-2-methylbutyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66393523
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
5-methyl-1,3-benzodioxole
CID 142082223
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole?
The IUPAC name of 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole (CID 135066637) is 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole.
What is the SMILES notation for 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole?
The canonical SMILES for 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole is Cc1ccc2c(c1)C[Si](C(C)C)(C(C)C)O2.
What is the InChIKey of 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole?
The InChIKey is WUCDAZHSFMTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-10(2)16(11(3)4)9-13-8-12(5)6-7-14(13)15-16/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole?
5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole has a molecular weight of 234.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,2-di(propan-2-yl)-3H-1,2-benzoxasilole is sourced from PubChem (CID 135066637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).