1,2,3,4,5-penta(butan-2-yl)pentasilolane

C20H50Si5 — CID 154064392

IUPAC1,2,3,4,5-penta(butan-2-yl)pentasilolane
SMILESCCC(C)[SiH]1[SiH](C(C)CC)[SiH](C(C)CC)[SiH](C(C)CC)[SiH]1C(C)CC
InChIInChI=1S/C20H50Si5/c1-11-16(6)21-22(17(7)12-2)24(19(9)14-4)25(20(10)15-5)23(21)18(8)13-3/h16-25H,11-15H2,1-10H3
InChIKeyYBYLVFBUQVKOBW-UHFFFAOYSA-N
MW431.05 g/mol
LogP5.53
Rot. Bonds10

About 1,2,3,4,5-penta(butan-2-yl)pentasilolane

1,2,3,4,5-penta(butan-2-yl)pentasilolane (PubChem CID 154064392) has the molecular formula C20H50Si5 and a molecular weight of 431.05 g/mol. Its IUPAC name is 1,2,3,4,5-penta(butan-2-yl)pentasilolane.

Molecular Properties

Compound Name1,2,3,4,5-penta(butan-2-yl)pentasilolane
PubChem CID154064392
Molecular FormulaC20H50Si5
Molecular Weight431.05 g/mol
Exact Mass430.28
IUPAC Name1,2,3,4,5-penta(butan-2-yl)pentasilolane
SMILESCCC(C)[SiH]1[SiH](C(C)CC)[SiH](C(C)CC)[SiH](C(C)CC)[SiH]1C(C)CC
InChIInChI=1S/C20H50Si5/c1-11-16(6)21-22(17(7)12-2)24(19(9)14-4)25(20(10)15-5)23(21)18(8)13-3/h16-25H,11-15H2,1-10H3
InChIKeyYBYLVFBUQVKOBW-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.05
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,2,3,4,5-penta(butan-2-yl)pentasilolane?
The IUPAC name of 1,2,3,4,5-penta(butan-2-yl)pentasilolane (CID 154064392) is 1,2,3,4,5-penta(butan-2-yl)pentasilolane.
What is the SMILES notation for 1,2,3,4,5-penta(butan-2-yl)pentasilolane?
The canonical SMILES for 1,2,3,4,5-penta(butan-2-yl)pentasilolane is CCC(C)[SiH]1[SiH](C(C)CC)[SiH](C(C)CC)[SiH](C(C)CC)[SiH]1C(C)CC.
What is the InChIKey of 1,2,3,4,5-penta(butan-2-yl)pentasilolane?
The InChIKey is YBYLVFBUQVKOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H50Si5/c1-11-16(6)21-22(17(7)12-2)24(19(9)14-4)25(20(10)15-5)23(21)18(8)13-3/h16-25H,11-15H2,1-10H3.
What are the key properties of 1,2,3,4,5-penta(butan-2-yl)pentasilolane?
1,2,3,4,5-penta(butan-2-yl)pentasilolane has a molecular weight of 431.05 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-penta(butan-2-yl)pentasilolane is sourced from PubChem (CID 154064392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).