dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane

C20H34O3Si2 — CID 23529575

IUPACdimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane
SMILESCO[Si](C)(CC[Si](C)(CCC1CCC2OC2C1)c1ccccc1)OC
InChIInChI=1S/C20H34O3Si2/c1-21-25(4,22-2)15-14-24(3,18-8-6-5-7-9-18)13-12-17-10-11-19-20(16-17)23-19/h5-9,17,19-20H,10-16H2,1-4H3
InChIKeyIAWWKWHPZMDUDW-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.29
Rot. Bonds9

About dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane

dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane (PubChem CID 23529575) has the molecular formula C20H34O3Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane
PubChem CID23529575
Molecular FormulaC20H34O3Si2
Molecular Weight378.66 g/mol
Exact Mass378.20
IUPAC Namedimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane
SMILESCO[Si](C)(CC[Si](C)(CCC1CCC2OC2C1)c1ccccc1)OC
InChIInChI=1S/C20H34O3Si2/c1-21-25(4,22-2)15-14-24(3,18-8-6-5-7-9-18)13-12-17-10-11-19-20(16-17)23-19/h5-9,17,19-20H,10-16H2,1-4H3
InChIKeyIAWWKWHPZMDUDW-UHFFFAOYSA-N
XLogP4.29
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.29
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 dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane?
The IUPAC name of dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane (CID 23529575) is dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane.
What is the SMILES notation for dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane?
The canonical SMILES for dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane is CO[Si](C)(CC[Si](C)(CCC1CCC2OC2C1)c1ccccc1)OC.
What is the InChIKey of dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane?
The InChIKey is IAWWKWHPZMDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si2/c1-21-25(4,22-2)15-14-24(3,18-8-6-5-7-9-18)13-12-17-10-11-19-20(16-17)23-19/h5-9,17,19-20H,10-16H2,1-4H3.
What are the key properties of dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane?
dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane has a molecular weight of 378.66 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[2-[methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-phenylsilyl]ethyl]silane is sourced from PubChem (CID 23529575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).