tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane

C21H42O3Si — CID 134936781

IUPACtert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
SMILESCC(C)=CCC[C@](C)(CCC1(C)OCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-18(2)11-10-12-20(6,13-14-21(7)22-15-16-23-21)17-24-25(8,9)19(3,4)5/h11H,10,12-17H2,1-9H3/t20-/m1/s1
InChIKeyUJKOYYDULNHIHZ-HXUWFJFHSA-N
MW370.65 g/mol
LogP6.30
Rot. Bonds9

About tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane

tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane (PubChem CID 134936781) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
PubChem CID134936781
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
SMILESCC(C)=CCC[C@](C)(CCC1(C)OCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-18(2)11-10-12-20(6,13-14-21(7)22-15-16-23-21)17-24-25(8,9)19(3,4)5/h11H,10,12-17H2,1-9H3/t20-/m1/s1
InChIKeyUJKOYYDULNHIHZ-HXUWFJFHSA-N
XLogP6.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.30
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 tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane (CID 134936781) is tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane is CC(C)=CCC[C@](C)(CCC1(C)OCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane?
The InChIKey is UJKOYYDULNHIHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-18(2)11-10-12-20(6,13-14-21(7)22-15-16-23-21)17-24-25(8,9)19(3,4)5/h11H,10,12-17H2,1-9H3/t20-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane?
tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane has a molecular weight of 370.65 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane is sourced from PubChem (CID 134936781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).