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

C14H22OSi — CID 135044737

IUPAC3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
SMILESCC1O[Si](C(C)C)(C(C)C)c2ccccc21
InChIInChI=1S/C14H22OSi/c1-10(2)16(11(3)4)14-9-7-6-8-13(14)12(5)15-16/h6-12H,1-5H3
InChIKeyATFMPHVSCHQXQN-UHFFFAOYSA-N
MW234.41 g/mol
LogP3.75
Rot. Bonds2

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

3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole (PubChem CID 135044737) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
PubChem CID135044737
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole
SMILESCC1O[Si](C(C)C)(C(C)C)c2ccccc21
InChIInChI=1S/C14H22OSi/c1-10(2)16(11(3)4)14-9-7-6-8-13(14)12(5)15-16/h6-12H,1-5H3
InChIKeyATFMPHVSCHQXQN-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
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 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The IUPAC name of 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole (CID 135044737) is 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole.
What is the SMILES notation for 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The canonical SMILES for 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole is CC1O[Si](C(C)C)(C(C)C)c2ccccc21.
What is the InChIKey of 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
The InChIKey is ATFMPHVSCHQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-10(2)16(11(3)4)14-9-7-6-8-13(14)12(5)15-16/h6-12H,1-5H3.
What are the key properties of 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole?
3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole has a molecular weight of 234.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-di(propan-2-yl)-3H-2,1-benzoxasilole is sourced from PubChem (CID 135044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).