pent-4-ynoxy-tri(propan-2-yl)silane

C14H28OSi — CID 5461494

IUPACpent-4-ynoxy-tri(propan-2-yl)silane
SMILESC#CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-10-11-15-16(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3
InChIKeyOXABHQHOZYRJPU-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds7

About pent-4-ynoxy-tri(propan-2-yl)silane

pent-4-ynoxy-tri(propan-2-yl)silane (PubChem CID 5461494) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is pent-4-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namepent-4-ynoxy-tri(propan-2-yl)silane
PubChem CID5461494
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Namepent-4-ynoxy-tri(propan-2-yl)silane
SMILESC#CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-10-11-15-16(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3
InChIKeyOXABHQHOZYRJPU-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-4-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of pent-4-ynoxy-tri(propan-2-yl)silane (CID 5461494) is pent-4-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for pent-4-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for pent-4-ynoxy-tri(propan-2-yl)silane is C#CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of pent-4-ynoxy-tri(propan-2-yl)silane?
The InChIKey is OXABHQHOZYRJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-9-10-11-15-16(12(2)3,13(4)5)14(6)7/h1,12-14H,9-11H2,2-7H3.
What are the key properties of pent-4-ynoxy-tri(propan-2-yl)silane?
pent-4-ynoxy-tri(propan-2-yl)silane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 5461494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).