1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane

C40H90Si5 — CID 12561632

IUPAC1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane
SMILESCCCC[Si]1(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si]1(CCCC)CCCC
InChIInChI=1S/C40H90Si5/c1-11-21-31-41(32-22-12-2)42(33-23-13-3,34-24-14-4)44(37-27-17-7,38-28-18-8)45(39-29-19-9,40-30-20-10)43(41,35-25-15-5)36-26-16-6/h11-40H2,1-10H3
InChIKeyAVIMDXQQJUFCRV-UHFFFAOYSA-N
MW711.59 g/mol
LogP15.64
Rot. Bonds30

About 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane

1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane (PubChem CID 12561632) has the molecular formula C40H90Si5 and a molecular weight of 711.59 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane
PubChem CID12561632
Molecular FormulaC40H90Si5
Molecular Weight711.59 g/mol
Exact Mass710.59
IUPAC Name1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane
SMILESCCCC[Si]1(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si]1(CCCC)CCCC
InChIInChI=1S/C40H90Si5/c1-11-21-31-41(32-22-12-2)42(33-23-13-3,34-24-14-4)44(37-27-17-7,38-28-18-8)45(39-29-19-9,40-30-20-10)43(41,35-25-15-5)36-26-16-6/h11-40H2,1-10H3
InChIKeyAVIMDXQQJUFCRV-UHFFFAOYSA-N
XLogP15.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.59
LogP ≤ 515.64
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 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane (CID 12561632) is 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane is CCCC[Si]1(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si](CCCC)(CCCC)[Si]1(CCCC)CCCC.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane?
The InChIKey is AVIMDXQQJUFCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H90Si5/c1-11-21-31-41(32-22-12-2)42(33-23-13-3,34-24-14-4)44(37-27-17-7,38-28-18-8)45(39-29-19-9,40-30-20-10)43(41,35-25-15-5)36-26-16-6/h11-40H2,1-10H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane?
1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane has a molecular weight of 711.59 g/mol, XLogP of 15.64, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decabutylpentasilolane is sourced from PubChem (CID 12561632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).