(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane

C13H24OSi — CID 70397008

IUPAC(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
SMILESCCCCC1(O[Si](C)(C)C)C=CC=CC1
InChIInChI=1S/C13H24OSi/c1-5-6-10-13(14-15(2,3)4)11-8-7-9-12-13/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyZSMWBWBUTYQRQK-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.28
Rot. Bonds5

About (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane

(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane (PubChem CID 70397008) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
PubChem CID70397008
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
SMILESCCCCC1(O[Si](C)(C)C)C=CC=CC1
InChIInChI=1S/C13H24OSi/c1-5-6-10-13(14-15(2,3)4)11-8-7-9-12-13/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyZSMWBWBUTYQRQK-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.28
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-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The IUPAC name of (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane (CID 70397008) is (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The canonical SMILES for (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane is CCCCC1(O[Si](C)(C)C)C=CC=CC1.
What is the InChIKey of (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The InChIKey is ZSMWBWBUTYQRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-6-10-13(14-15(2,3)4)11-8-7-9-12-13/h7-9,11H,5-6,10,12H2,1-4H3.
What are the key properties of (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
(1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 70397008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).