tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane

C15H28O2Si — CID 134894104

IUPACtri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
SMILESC=CCOCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-8-10-16-11-9-12-17-18(13(2)3,14(4)5)15(6)7/h8,13-15H,1,10-11H2,2-7H3
InChIKeyFVJAESDFSDSUOI-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.34
Rot. Bonds7

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

tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane (PubChem CID 134894104) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane.

Molecular Properties

Compound Nametri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
PubChem CID134894104
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
SMILESC=CCOCC#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-8-10-16-11-9-12-17-18(13(2)3,14(4)5)15(6)7/h8,13-15H,1,10-11H2,2-7H3
InChIKeyFVJAESDFSDSUOI-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane?
The IUPAC name of tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane (CID 134894104) is tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane.
What is the SMILES notation for tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane?
The canonical SMILES for tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane is C=CCOCC#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane?
The InChIKey is FVJAESDFSDSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-10-16-11-9-12-17-18(13(2)3,14(4)5)15(6)7/h8,13-15H,1,10-11H2,2-7H3.
What are the key properties of tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane?
tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane has a molecular weight of 268.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane is sourced from PubChem (CID 134894104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).