trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane

C20H36O3Si — CID 134875099

IUPACtrimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane
SMILESC=C(C)C(CCC1(C)OCCO1)CC1(C)C=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C20H36O3Si/c1-16(2)17(8-11-20(4)21-12-13-22-20)14-19(3)10-9-18(15-19)23-24(5,6)7/h15,17H,1,8-14H2,2-7H3
InChIKeyZLNJGEVJDDXJND-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.65
Rot. Bonds8

About trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane

trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane (PubChem CID 134875099) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane
PubChem CID134875099
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametrimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane
SMILESC=C(C)C(CCC1(C)OCCO1)CC1(C)C=C(O[Si](C)(C)C)CC1
InChIInChI=1S/C20H36O3Si/c1-16(2)17(8-11-20(4)21-12-13-22-20)14-19(3)10-9-18(15-19)23-24(5,6)7/h15,17H,1,8-14H2,2-7H3
InChIKeyZLNJGEVJDDXJND-UHFFFAOYSA-N
XLogP5.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane?
The IUPAC name of trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane (CID 134875099) is trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane?
The canonical SMILES for trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane is C=C(C)C(CCC1(C)OCCO1)CC1(C)C=C(O[Si](C)(C)C)CC1.
What is the InChIKey of trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane?
The InChIKey is ZLNJGEVJDDXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-16(2)17(8-11-20(4)21-12-13-22-20)14-19(3)10-9-18(15-19)23-24(5,6)7/h15,17H,1,8-14H2,2-7H3.
What are the key properties of trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane?
trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane has a molecular weight of 352.59 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-3-[3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]but-3-enyl]cyclopenten-1-yl]oxysilane is sourced from PubChem (CID 134875099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).