2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C25H60O5Si5 — CID 66894597

IUPAC2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCC(C)[Si]1(C)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O1
InChIInChI=1S/C25H60O5Si5/c1-16-21(6)31(11)26-32(12,22(7)17-2)28-34(14,24(9)19-4)30-35(15,25(10)20-5)29-33(13,27-31)23(8)18-3/h21-25H,16-20H2,1-15H3
InChIKeyYFHHUYVJXMNMGT-UHFFFAOYSA-N
MW581.18 g/mol
LogP9.44
Rot. Bonds10

About 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 66894597) has the molecular formula C25H60O5Si5 and a molecular weight of 581.18 g/mol. Its IUPAC name is 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID66894597
Molecular FormulaC25H60O5Si5
Molecular Weight581.18 g/mol
Exact Mass580.33
IUPAC Name2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCCC(C)[Si]1(C)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O1
InChIInChI=1S/C25H60O5Si5/c1-16-21(6)31(11)26-32(12,22(7)17-2)28-34(14,24(9)19-4)30-35(15,25(10)20-5)29-33(13,27-31)23(8)18-3/h21-25H,16-20H2,1-15H3
InChIKeyYFHHUYVJXMNMGT-UHFFFAOYSA-N
XLogP9.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.18
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 66894597) is 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CCC(C)[Si]1(C)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O[Si](C)(C(C)CC)O1.
What is the InChIKey of 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is YFHHUYVJXMNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H60O5Si5/c1-16-21(6)31(11)26-32(12,22(7)17-2)28-34(14,24(9)19-4)30-35(15,25(10)20-5)29-33(13,27-31)23(8)18-3/h21-25H,16-20H2,1-15H3.
What are the key properties of 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 581.18 g/mol, XLogP of 9.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10-penta(butan-2-yl)-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 66894597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).