tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane

C18H36O3Si — CID 10947446

IUPACtert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1(C)OCCO1
InChIInChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)17(3,4)5)15(2)11-12-18(6)19-13-14-20-18/h9,15-16H,1,10-14H2,2-8H3/t15-,16-/m0/s1
InChIKeyPWHMKZOPRWPGSX-HOTGVXAUSA-N
MW328.57 g/mol
LogP5.13
Rot. Bonds8

About tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane

tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane (PubChem CID 10947446) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane
PubChem CID10947446
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Nametert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1(C)OCCO1
InChIInChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)17(3,4)5)15(2)11-12-18(6)19-13-14-20-18/h9,15-16H,1,10-14H2,2-8H3/t15-,16-/m0/s1
InChIKeyPWHMKZOPRWPGSX-HOTGVXAUSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.13
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-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane (CID 10947446) is tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1(C)OCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane?
The InChIKey is PWHMKZOPRWPGSX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-10-16(21-22(7,8)17(3,4)5)15(2)11-12-18(6)19-13-14-20-18/h9,15-16H,1,10-14H2,2-8H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane has a molecular weight of 328.57 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane is sourced from PubChem (CID 10947446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).