(2-butoxyphenyl)-trimethylsilane

C13H22OSi — CID 123527400

IUPAC(2-butoxyphenyl)-trimethylsilane
SMILESCCCCOc1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-5-6-11-14-12-9-7-8-10-13(12)15(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyVRBADIVJXCDYCF-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.41
Rot. Bonds5

About (2-butoxyphenyl)-trimethylsilane

(2-butoxyphenyl)-trimethylsilane (PubChem CID 123527400) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is (2-butoxyphenyl)-trimethylsilane.

Molecular Properties

Compound Name(2-butoxyphenyl)-trimethylsilane
PubChem CID123527400
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name(2-butoxyphenyl)-trimethylsilane
SMILESCCCCOc1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-5-6-11-14-12-9-7-8-10-13(12)15(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyVRBADIVJXCDYCF-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
(2-butoxyphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane;titanium(3+);dichloride
CID 22555225
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
tris(2-butoxyphenyl)sulfanium
CID 87493432
1-butoxynaphthalene
CID 13262700
butyl 2-[2-[methoxy(dimethyl)silyl]phenoxy]acetate
CID 14388345
1-butoxy-2-phosphorosobenzene
CID 57135046
1-(2-methylsulfanylethenyl)-2-pentoxybenzene
CID 66777650
2-butoxy-N,N-diphenylaniline
CID 154486534

Frequently Asked Questions

What is the IUPAC name of (2-butoxyphenyl)-trimethylsilane?
The IUPAC name of (2-butoxyphenyl)-trimethylsilane (CID 123527400) is (2-butoxyphenyl)-trimethylsilane.
What is the SMILES notation for (2-butoxyphenyl)-trimethylsilane?
The canonical SMILES for (2-butoxyphenyl)-trimethylsilane is CCCCOc1ccccc1[Si](C)(C)C.
What is the InChIKey of (2-butoxyphenyl)-trimethylsilane?
The InChIKey is VRBADIVJXCDYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-5-6-11-14-12-9-7-8-10-13(12)15(2,3)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of (2-butoxyphenyl)-trimethylsilane?
(2-butoxyphenyl)-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxyphenyl)-trimethylsilane is sourced from PubChem (CID 123527400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).