tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane

C18H34O4Si — CID 134983707

IUPACtert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESCO/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C(/C)C1COC(C)(C)O1
InChIInChI=1S/C18H34O4Si/c1-13(15-12-20-18(6,7)21-15)14(2)16(11-19-8)22-23(9,10)17(3,4)5/h11,15H,12H2,1-10H3/b14-13-,16-11-
InChIKeyHUHKABMWQCCVEF-FXODQPBSSA-N
MW342.55 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 134983707) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID134983707
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESCO/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C(/C)C1COC(C)(C)O1
InChIInChI=1S/C18H34O4Si/c1-13(15-12-20-18(6,7)21-15)14(2)16(11-19-8)22-23(9,10)17(3,4)5/h11,15H,12H2,1-10H3/b14-13-,16-11-
InChIKeyHUHKABMWQCCVEF-FXODQPBSSA-N
XLogP4.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane (CID 134983707) is tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane is CO/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C(/C)C1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is HUHKABMWQCCVEF-FXODQPBSSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-13(15-12-20-18(6,7)21-15)14(2)16(11-19-8)22-23(9,10)17(3,4)5/h11,15H,12H2,1-10H3/b14-13-,16-11-.
What are the key properties of tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 342.55 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylpenta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).