buta-1,3-dienoxy-tri(propan-2-yl)silane

C13H26OSi — CID 85369513

IUPACbuta-1,3-dienoxy-tri(propan-2-yl)silane
SMILESC=CC=CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3
InChIKeyRJDPWYOAWDLENA-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.88
Rot. Bonds6

About buta-1,3-dienoxy-tri(propan-2-yl)silane

buta-1,3-dienoxy-tri(propan-2-yl)silane (PubChem CID 85369513) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is buta-1,3-dienoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namebuta-1,3-dienoxy-tri(propan-2-yl)silane
PubChem CID85369513
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namebuta-1,3-dienoxy-tri(propan-2-yl)silane
SMILESC=CC=CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3
InChIKeyRJDPWYOAWDLENA-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.88
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 buta-1,3-dienoxy-tri(propan-2-yl)silane?
The IUPAC name of buta-1,3-dienoxy-tri(propan-2-yl)silane (CID 85369513) is buta-1,3-dienoxy-tri(propan-2-yl)silane.
What is the SMILES notation for buta-1,3-dienoxy-tri(propan-2-yl)silane?
The canonical SMILES for buta-1,3-dienoxy-tri(propan-2-yl)silane is C=CC=CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of buta-1,3-dienoxy-tri(propan-2-yl)silane?
The InChIKey is RJDPWYOAWDLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h8-13H,1H2,2-7H3.
What are the key properties of buta-1,3-dienoxy-tri(propan-2-yl)silane?
buta-1,3-dienoxy-tri(propan-2-yl)silane has a molecular weight of 226.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 85369513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).