3-methylpent-1-ynoxy-tri(propan-2-yl)silane

C15H30OSi — CID 134975710

IUPAC3-methylpent-1-ynoxy-tri(propan-2-yl)silane
SMILESCCC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30OSi/c1-9-15(8)10-11-16-17(12(2)3,13(4)5)14(6)7/h12-15H,9H2,1-8H3
InChIKeyDMPBHGAMLYAURU-UHFFFAOYSA-N
MW254.49 g/mol
LogP5.19
Rot. Bonds5

About 3-methylpent-1-ynoxy-tri(propan-2-yl)silane

3-methylpent-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 134975710) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 3-methylpent-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-methylpent-1-ynoxy-tri(propan-2-yl)silane
PubChem CID134975710
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name3-methylpent-1-ynoxy-tri(propan-2-yl)silane
SMILESCCC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30OSi/c1-9-15(8)10-11-16-17(12(2)3,13(4)5)14(6)7/h12-15H,9H2,1-8H3
InChIKeyDMPBHGAMLYAURU-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-methylpent-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-methylpent-1-ynoxy-tri(propan-2-yl)silane (CID 134975710) is 3-methylpent-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-methylpent-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-methylpent-1-ynoxy-tri(propan-2-yl)silane is CCC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methylpent-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is DMPBHGAMLYAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-15(8)10-11-16-17(12(2)3,13(4)5)14(6)7/h12-15H,9H2,1-8H3.
What are the key properties of 3-methylpent-1-ynoxy-tri(propan-2-yl)silane?
3-methylpent-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 254.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134975710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).