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

C13H24OSi — CID 67944972

IUPAC(1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
SMILESCC(C)(C)C1(O[Si](C)(C)C)C=CC=CC1
InChIInChI=1S/C13H24OSi/c1-12(2,3)13(14-15(4,5)6)10-8-7-9-11-13/h7-10H,11H2,1-6H3
InChIKeyOIHDIVLLJLSQHM-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.14
Rot. Bonds2

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

(1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane (PubChem CID 67944972) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
PubChem CID67944972
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane
SMILESCC(C)(C)C1(O[Si](C)(C)C)C=CC=CC1
InChIInChI=1S/C13H24OSi/c1-12(2,3)13(14-15(4,5)6)10-8-7-9-11-13/h7-10H,11H2,1-6H3
InChIKeyOIHDIVLLJLSQHM-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.14
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-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The IUPAC name of (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane (CID 67944972) is (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The canonical SMILES for (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane is CC(C)(C)C1(O[Si](C)(C)C)C=CC=CC1.
What is the InChIKey of (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
The InChIKey is OIHDIVLLJLSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-12(2,3)13(14-15(4,5)6)10-8-7-9-11-13/h7-10H,11H2,1-6H3.
What are the key properties of (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane?
(1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclohexa-2,4-dien-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 67944972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).