(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane

C13H24O2Si — CID 71044314

IUPAC(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
SMILESCCCCOC1=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C13H24O2Si/c1-5-6-10-14-12-8-7-9-13(11-12)15-16(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyKNCGXJVFFLGWNK-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.22
Rot. Bonds6

About (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane

(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane (PubChem CID 71044314) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
PubChem CID71044314
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
SMILESCCCCOC1=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C13H24O2Si/c1-5-6-10-14-12-8-7-9-13(11-12)15-16(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyKNCGXJVFFLGWNK-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The IUPAC name of (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane (CID 71044314) is (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The canonical SMILES for (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane is CCCCOC1=CC(O[Si](C)(C)C)=CCC1.
What is the InChIKey of (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The InChIKey is KNCGXJVFFLGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-5-6-10-14-12-8-7-9-13(11-12)15-16(2,3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
(5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 71044314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).