tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C20H40O3Si — CID 174054717

IUPACtert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCCCCCC/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-15-17-18(23-20(5,6)22-17)16-21-24(7,8)19(2,3)4/h14-15,17-18H,9-13,16H2,1-8H3/b15-14+/t17-,18-/m0/s1
InChIKeyJSENDRBZCKEFRF-DNWQSSKHSA-N
MW356.62 g/mol
LogP6.05
Rot. Bonds9

About tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 174054717) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID174054717
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCCCCCC/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-15-17-18(23-20(5,6)22-17)16-21-24(7,8)19(2,3)4/h14-15,17-18H,9-13,16H2,1-8H3/b15-14+/t17-,18-/m0/s1
InChIKeyJSENDRBZCKEFRF-DNWQSSKHSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 174054717) is tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CCCCCC/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is JSENDRBZCKEFRF-DNWQSSKHSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-10-11-12-13-14-15-17-18(23-20(5,6)22-17)16-21-24(7,8)19(2,3)4/h14-15,17-18H,9-13,16H2,1-8H3/b15-14+/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 356.62 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 174054717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).