tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane

C19H38O3Si — CID 10860818

IUPACtert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/C(OCCCC)OCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-15-20-18(21-16-12-10-2)14-13-17(3)22-23(7,8)19(4,5)6/h13-14,18H,3,9-12,15-16H2,1-2,4-8H3/b14-13+
InChIKeyIRSAMQVULVYGJH-BUHFOSPRSA-N
MW342.60 g/mol
LogP6.04
Rot. Bonds12

About tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane (PubChem CID 10860818) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane
PubChem CID10860818
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane
SMILESC=C(/C=C/C(OCCCC)OCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-15-20-18(21-16-12-10-2)14-13-17(3)22-23(7,8)19(4,5)6/h13-14,18H,3,9-12,15-16H2,1-2,4-8H3/b14-13+
InChIKeyIRSAMQVULVYGJH-BUHFOSPRSA-N
XLogP6.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane (CID 10860818) is tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane is C=C(/C=C/C(OCCCC)OCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane?
The InChIKey is IRSAMQVULVYGJH-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-11-15-20-18(21-16-12-10-2)14-13-17(3)22-23(7,8)19(4,5)6/h13-14,18H,3,9-12,15-16H2,1-2,4-8H3/b14-13+.
What are the key properties of tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-5,5-dibutoxypenta-1,3-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10860818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).