triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane

C15H28OSi — CID 13159355

IUPACtriethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane
SMILESCC[Si](CC)(CC)OC1=C(C(C)C)CC=CC1
InChIInChI=1S/C15H28OSi/c1-6-17(7-2,8-3)16-15-12-10-9-11-14(15)13(4)5/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyABLURWFVYTZSPB-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.27
Rot. Bonds6

About triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane

triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane (PubChem CID 13159355) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane
PubChem CID13159355
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametriethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane
SMILESCC[Si](CC)(CC)OC1=C(C(C)C)CC=CC1
InChIInChI=1S/C15H28OSi/c1-6-17(7-2,8-3)16-15-12-10-9-11-14(15)13(4)5/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyABLURWFVYTZSPB-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane?
The IUPAC name of triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane (CID 13159355) is triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane.
What is the SMILES notation for triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane?
The canonical SMILES for triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane is CC[Si](CC)(CC)OC1=C(C(C)C)CC=CC1.
What is the InChIKey of triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane?
The InChIKey is ABLURWFVYTZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-6-17(7-2,8-3)16-15-12-10-9-11-14(15)13(4)5/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane?
triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane has a molecular weight of 252.47 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane is sourced from PubChem (CID 13159355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).