ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane

C27H54O3Si — CID 152577468

IUPACethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane
SMILESCCCCCCCCCCCCCCCCC(O[Si](C)(CC)OC)C1CCC2OC2C1
InChIInChI=1S/C27H54O3Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-31(4,6-2)28-3)24-21-22-26-27(23-24)29-26/h24-27H,5-23H2,1-4H3
InChIKeyYSTSLPRAGRSJEP-UHFFFAOYSA-N
MW454.81 g/mol
LogP8.55
Rot. Bonds20

About ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane

ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane (PubChem CID 152577468) has the molecular formula C27H54O3Si and a molecular weight of 454.81 g/mol. Its IUPAC name is ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane.

Molecular Properties

Compound Nameethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane
PubChem CID152577468
Molecular FormulaC27H54O3Si
Molecular Weight454.81 g/mol
Exact Mass454.38
IUPAC Nameethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane
SMILESCCCCCCCCCCCCCCCCC(O[Si](C)(CC)OC)C1CCC2OC2C1
InChIInChI=1S/C27H54O3Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-31(4,6-2)28-3)24-21-22-26-27(23-24)29-26/h24-27H,5-23H2,1-4H3
InChIKeyYSTSLPRAGRSJEP-UHFFFAOYSA-N
XLogP8.55
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.81
LogP ≤ 58.55
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane?
The IUPAC name of ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane (CID 152577468) is ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane.
What is the SMILES notation for ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane?
The canonical SMILES for ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane is CCCCCCCCCCCCCCCCC(O[Si](C)(CC)OC)C1CCC2OC2C1.
What is the InChIKey of ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane?
The InChIKey is YSTSLPRAGRSJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O3Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(30-31(4,6-2)28-3)24-21-22-26-27(23-24)29-26/h24-27H,5-23H2,1-4H3.
What are the key properties of ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane?
ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane has a molecular weight of 454.81 g/mol, XLogP of 8.55, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methoxy-methyl-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)heptadecoxy]silane is sourced from PubChem (CID 152577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).