2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C30H70O5Si5 — CID 13445289

IUPAC2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCC[Si]1(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O1
InChIInChI=1S/C30H70O5Si5/c1-11-21-36(22-12-2)31-37(23-13-3,24-14-4)33-39(27-17-7,28-18-8)35-40(29-19-9,30-20-10)34-38(32-36,25-15-5)26-16-6/h11-30H2,1-10H3
InChIKeyGDOAFPKXPORDJU-UHFFFAOYSA-N
MW651.32 g/mol
LogP11.39
Rot. Bonds20

About 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 13445289) has the molecular formula C30H70O5Si5 and a molecular weight of 651.32 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID13445289
Molecular FormulaC30H70O5Si5
Molecular Weight651.32 g/mol
Exact Mass650.41
IUPAC Name2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCC[Si]1(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O1
InChIInChI=1S/C30H70O5Si5/c1-11-21-36(22-12-2)31-37(23-13-3,24-14-4)33-39(27-17-7,28-18-8)35-40(29-19-9,30-20-10)34-38(32-36,25-15-5)26-16-6/h11-30H2,1-10H3
InChIKeyGDOAFPKXPORDJU-UHFFFAOYSA-N
XLogP11.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.32
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 13445289) is 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CCC[Si]1(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O[Si](CCC)(CCC)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is GDOAFPKXPORDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O5Si5/c1-11-21-36(22-12-2)31-37(23-13-3,24-14-4)33-39(27-17-7,28-18-8)35-40(29-19-9,30-20-10)34-38(32-36,25-15-5)26-16-6/h11-30H2,1-10H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 651.32 g/mol, XLogP of 11.39, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10-decapropyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 13445289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).