[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane

C17H34O3Si — CID 173147235

IUPAC[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane
SMILESCCC(CO[SiH](C(C)C)C(C)C)(OC)C1CCC2OC2C1
InChIInChI=1S/C17H34O3Si/c1-7-17(18-6,11-19-21(12(2)3)13(4)5)14-8-9-15-16(10-14)20-15/h12-16,21H,7-11H2,1-6H3
InChIKeyUZRHSMWBGUKWIJ-UHFFFAOYSA-N
MW314.54 g/mol
LogP3.91
Rot. Bonds8

About [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane

[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane (PubChem CID 173147235) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Name[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane
PubChem CID173147235
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane
SMILESCCC(CO[SiH](C(C)C)C(C)C)(OC)C1CCC2OC2C1
InChIInChI=1S/C17H34O3Si/c1-7-17(18-6,11-19-21(12(2)3)13(4)5)14-8-9-15-16(10-14)20-15/h12-16,21H,7-11H2,1-6H3
InChIKeyUZRHSMWBGUKWIJ-UHFFFAOYSA-N
XLogP3.91
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane?
The IUPAC name of [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane (CID 173147235) is [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane.
What is the SMILES notation for [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane?
The canonical SMILES for [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane is CCC(CO[SiH](C(C)C)C(C)C)(OC)C1CCC2OC2C1.
What is the InChIKey of [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane?
The InChIKey is UZRHSMWBGUKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-17(18-6,11-19-21(12(2)3)13(4)5)14-8-9-15-16(10-14)20-15/h12-16,21H,7-11H2,1-6H3.
What are the key properties of [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane?
[2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane has a molecular weight of 314.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]-di(propan-2-yl)silane is sourced from PubChem (CID 173147235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).