[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

C16H32OSi — CID 102255193

IUPAC[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)10-11-16(9)17-18(13(3)4,14(5)6)15(7)8/h10-15H,9H2,1-8H3/b11-10+
InChIKeySBCYVTWXJAZSCE-ZHACJKMWSA-N
MW268.52 g/mol
LogP5.90
Rot. Bonds7

About [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102255193) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID102255193
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-12(2)10-11-16(9)17-18(13(3)4,14(5)6)15(7)8/h10-15H,9H2,1-8H3/b11-10+
InChIKeySBCYVTWXJAZSCE-ZHACJKMWSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (CID 102255193) is [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is C=C(/C=C/C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SBCYVTWXJAZSCE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)10-11-16(9)17-18(13(3)4,14(5)6)15(7)8/h10-15H,9H2,1-8H3/b11-10+.
What are the key properties of [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 268.52 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-methylhexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102255193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).