1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane

C14H28O3Si — CID 87093527

IUPAC1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane
SMILESC=CCOC(OCC=C)C(CCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-10-13(17-18(4,5)6)14(15-11-8-2)16-12-9-3/h8-9,13-14H,2-3,7,10-12H2,1,4-6H3
InChIKeyXUMYVRAKDMRRPA-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.74
Rot. Bonds11

About 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane

1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane (PubChem CID 87093527) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane
PubChem CID87093527
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane
SMILESC=CCOC(OCC=C)C(CCC)O[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-10-13(17-18(4,5)6)14(15-11-8-2)16-12-9-3/h8-9,13-14H,2-3,7,10-12H2,1,4-6H3
InChIKeyXUMYVRAKDMRRPA-UHFFFAOYSA-N
XLogP3.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane?
The IUPAC name of 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane (CID 87093527) is 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane.
What is the SMILES notation for 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane?
The canonical SMILES for 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane is C=CCOC(OCC=C)C(CCC)O[Si](C)(C)C.
What is the InChIKey of 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane?
The InChIKey is XUMYVRAKDMRRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-10-13(17-18(4,5)6)14(15-11-8-2)16-12-9-3/h8-9,13-14H,2-3,7,10-12H2,1,4-6H3.
What are the key properties of 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane?
1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane has a molecular weight of 272.46 g/mol, XLogP of 3.74, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-2-enoxy)pentan-2-yloxy-trimethylsilane is sourced from PubChem (CID 87093527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).