1-phenyloctan-4-yloxysilane

C14H24OSi — CID 123554826

IUPAC1-phenyloctan-4-yloxysilane
SMILESCCCCC(CCCc1ccccc1)O[SiH3]
InChIInChI=1S/C14H24OSi/c1-2-3-11-14(15-16)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1,16H3
InChIKeyWYHQAZZAPZFXCQ-UHFFFAOYSA-N
MW236.43 g/mol
LogP2.87
Rot. Bonds8

About 1-phenyloctan-4-yloxysilane

1-phenyloctan-4-yloxysilane (PubChem CID 123554826) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 1-phenyloctan-4-yloxysilane.

Molecular Properties

Compound Name1-phenyloctan-4-yloxysilane
PubChem CID123554826
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name1-phenyloctan-4-yloxysilane
SMILESCCCCC(CCCc1ccccc1)O[SiH3]
InChIInChI=1S/C14H24OSi/c1-2-3-11-14(15-16)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1,16H3
InChIKeyWYHQAZZAPZFXCQ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 52.87
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

1-phenyloctan-4-amine
CID 79413314
butylbenzene;propylbenzene
CID 142022125
1-phenylnonan-4-yl hydrogen carbonate
CID 67178650
1-phenylheptan-3-yl hydrogen carbonate
CID 67177512
6-ethyl-1-phenyldecan-4-amine
CID 105102887
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
1-phenylpentadecan-7-yl hydrogen carbonate
CID 67178943
13-phenyltridecan-6-yl hydrogen carbonate
CID 67181193

Frequently Asked Questions

What is the IUPAC name of 1-phenyloctan-4-yloxysilane?
The IUPAC name of 1-phenyloctan-4-yloxysilane (CID 123554826) is 1-phenyloctan-4-yloxysilane.
What is the SMILES notation for 1-phenyloctan-4-yloxysilane?
The canonical SMILES for 1-phenyloctan-4-yloxysilane is CCCCC(CCCc1ccccc1)O[SiH3].
What is the InChIKey of 1-phenyloctan-4-yloxysilane?
The InChIKey is WYHQAZZAPZFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-2-3-11-14(15-16)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1,16H3.
What are the key properties of 1-phenyloctan-4-yloxysilane?
1-phenyloctan-4-yloxysilane has a molecular weight of 236.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyloctan-4-yloxysilane is sourced from PubChem (CID 123554826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).