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

C10H18O2Si — CID 13416647

IUPAC(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
SMILESCOC1=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C10H18O2Si/c1-11-9-6-5-7-10(8-9)12-13(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyLJHIOJPGRAOWRO-UHFFFAOYSA-N
MW198.34 g/mol
LogP3.05
Rot. Bonds3

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

(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane (PubChem CID 13416647) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
PubChem CID13416647
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane
SMILESCOC1=CC(O[Si](C)(C)C)=CCC1
InChIInChI=1S/C10H18O2Si/c1-11-9-6-5-7-10(8-9)12-13(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyLJHIOJPGRAOWRO-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The IUPAC name of (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane (CID 13416647) is (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The canonical SMILES for (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane is COC1=CC(O[Si](C)(C)C)=CCC1.
What is the InChIKey of (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
The InChIKey is LJHIOJPGRAOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-11-9-6-5-7-10(8-9)12-13(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane?
(5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane has a molecular weight of 198.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycyclohexa-1,5-dien-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 13416647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).