2-phenylheptan-2-yloxysilane

C13H22OSi — CID 173162133

IUPAC2-phenylheptan-2-yloxysilane
SMILESCCCCCC(C)(O[SiH3])c1ccccc1
InChIInChI=1S/C13H22OSi/c1-3-4-8-11-13(2,14-15)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2,15H3
InChIKeyXYAXJEGACQYRSO-UHFFFAOYSA-N
MW222.40 g/mol
LogP2.78
Rot. Bonds6

About 2-phenylheptan-2-yloxysilane

2-phenylheptan-2-yloxysilane (PubChem CID 173162133) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-phenylheptan-2-yloxysilane.

Molecular Properties

Compound Name2-phenylheptan-2-yloxysilane
PubChem CID173162133
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-phenylheptan-2-yloxysilane
SMILESCCCCCC(C)(O[SiH3])c1ccccc1
InChIInChI=1S/C13H22OSi/c1-3-4-8-11-13(2,14-15)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2,15H3
InChIKeyXYAXJEGACQYRSO-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.78
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

2-phenylpentan-2-yloxysilane
CID 123717994
[(2R)-2-hydroperoxyhexan-2-yl]benzene
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tert-butylbenzene;hexane
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CID 141310981
1,1-diphenylhexan-1-amine
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2-phenyldecan-2-amine
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CID 154126549
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
2-phenylicosan-2-amine;hydrochloride
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1,1-difluoroheptylbenzene
CID 12070547

Frequently Asked Questions

What is the IUPAC name of 2-phenylheptan-2-yloxysilane?
The IUPAC name of 2-phenylheptan-2-yloxysilane (CID 173162133) is 2-phenylheptan-2-yloxysilane.
What is the SMILES notation for 2-phenylheptan-2-yloxysilane?
The canonical SMILES for 2-phenylheptan-2-yloxysilane is CCCCCC(C)(O[SiH3])c1ccccc1.
What is the InChIKey of 2-phenylheptan-2-yloxysilane?
The InChIKey is XYAXJEGACQYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-3-4-8-11-13(2,14-15)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2,15H3.
What are the key properties of 2-phenylheptan-2-yloxysilane?
2-phenylheptan-2-yloxysilane has a molecular weight of 222.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylheptan-2-yloxysilane is sourced from PubChem (CID 173162133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).