4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane

C15H28O3Si — CID 156625580

IUPAC4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OCC#CCOCOC)(C(C)C)C(C)C
InChIInChI=1S/C15H28O3Si/c1-7-12-19(14(2)3,15(4)5)18-11-9-8-10-17-13-16-6/h7,14-15H,1,10-13H2,2-6H3
InChIKeyYBXQNNCZLSORNE-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.58
Rot. Bonds9

About 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane

4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 156625580) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID156625580
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OCC#CCOCOC)(C(C)C)C(C)C
InChIInChI=1S/C15H28O3Si/c1-7-12-19(14(2)3,15(4)5)18-11-9-8-10-17-13-16-6/h7,14-15H,1,10-13H2,2-6H3
InChIKeyYBXQNNCZLSORNE-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane (CID 156625580) is 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OCC#CCOCOC)(C(C)C)C(C)C.
What is the InChIKey of 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is YBXQNNCZLSORNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-12-19(14(2)3,15(4)5)18-11-9-8-10-17-13-16-6/h7,14-15H,1,10-13H2,2-6H3.
What are the key properties of 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane?
4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 156625580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).