1,1-diethyl-3-methyl-3H-2,1-benzoxasilole

C12H18OSi — CID 121000768

IUPAC1,1-diethyl-3-methyl-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OC(C)c2ccccc21
InChIInChI=1S/C12H18OSi/c1-4-14(5-2)12-9-7-6-8-11(12)10(3)13-14/h6-10H,4-5H2,1-3H3
InChIKeyNOMLODNSQQWZJM-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.97
Rot. Bonds2

About 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole

1,1-diethyl-3-methyl-3H-2,1-benzoxasilole (PubChem CID 121000768) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name1,1-diethyl-3-methyl-3H-2,1-benzoxasilole
PubChem CID121000768
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name1,1-diethyl-3-methyl-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OC(C)c2ccccc21
InChIInChI=1S/C12H18OSi/c1-4-14(5-2)12-9-7-6-8-11(12)10(3)13-14/h6-10H,4-5H2,1-3H3
InChIKeyNOMLODNSQQWZJM-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.97
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 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole?
The IUPAC name of 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole (CID 121000768) is 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole.
What is the SMILES notation for 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole?
The canonical SMILES for 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole is CC[Si]1(CC)OC(C)c2ccccc21.
What is the InChIKey of 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole?
The InChIKey is NOMLODNSQQWZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-4-14(5-2)12-9-7-6-8-11(12)10(3)13-14/h6-10H,4-5H2,1-3H3.
What are the key properties of 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole?
1,1-diethyl-3-methyl-3H-2,1-benzoxasilole has a molecular weight of 206.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methyl-3H-2,1-benzoxasilole is sourced from PubChem (CID 121000768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).