5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane

C13H26O3Si — CID 70169859

IUPAC5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)CCCC12CCC1C2
InChIInChI=1S/C13H26O3Si/c1-11(17(14-2,15-3)16-4)6-5-8-13-9-7-12(13)10-13/h11-12H,5-10H2,1-4H3
InChIKeyVPBGYDBYTPVGID-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.22
Rot. Bonds8

About 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane

5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane (PubChem CID 70169859) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane.

Molecular Properties

Compound Name5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane
PubChem CID70169859
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)CCCC12CCC1C2
InChIInChI=1S/C13H26O3Si/c1-11(17(14-2,15-3)16-4)6-5-8-13-9-7-12(13)10-13/h11-12H,5-10H2,1-4H3
InChIKeyVPBGYDBYTPVGID-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane?
The IUPAC name of 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane (CID 70169859) is 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane.
What is the SMILES notation for 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane?
The canonical SMILES for 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane is CO[Si](OC)(OC)C(C)CCCC12CCC1C2.
What is the InChIKey of 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane?
The InChIKey is VPBGYDBYTPVGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(17(14-2,15-3)16-4)6-5-8-13-9-7-12(13)10-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane?
5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane has a molecular weight of 258.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane is sourced from PubChem (CID 70169859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).