1,3-dibutyl-1,3-dichloro-1,3-disiletane

C10H22Cl2Si2 — CID 163405863

IUPAC1,3-dibutyl-1,3-dichloro-1,3-disiletane
SMILESCCCC[Si]1(Cl)C[Si](Cl)(CCCC)C1
InChIInChI=1S/C10H22Cl2Si2/c1-3-5-7-13(11)9-14(12,10-13)8-6-4-2/h3-10H2,1-2H3
InChIKeyCWYXPQRLSUVFPV-UHFFFAOYSA-N
MW269.36 g/mol
LogP5.05
Rot. Bonds6

About 1,3-dibutyl-1,3-dichloro-1,3-disiletane

1,3-dibutyl-1,3-dichloro-1,3-disiletane (PubChem CID 163405863) has the molecular formula C10H22Cl2Si2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1,3-dibutyl-1,3-dichloro-1,3-disiletane.

Molecular Properties

Compound Name1,3-dibutyl-1,3-dichloro-1,3-disiletane
PubChem CID163405863
Molecular FormulaC10H22Cl2Si2
Molecular Weight269.36 g/mol
Exact Mass268.06
IUPAC Name1,3-dibutyl-1,3-dichloro-1,3-disiletane
SMILESCCCC[Si]1(Cl)C[Si](Cl)(CCCC)C1
InChIInChI=1S/C10H22Cl2Si2/c1-3-5-7-13(11)9-14(12,10-13)8-6-4-2/h3-10H2,1-2H3
InChIKeyCWYXPQRLSUVFPV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1,3-dichloro-1,3-disiletane?
The IUPAC name of 1,3-dibutyl-1,3-dichloro-1,3-disiletane (CID 163405863) is 1,3-dibutyl-1,3-dichloro-1,3-disiletane.
What is the SMILES notation for 1,3-dibutyl-1,3-dichloro-1,3-disiletane?
The canonical SMILES for 1,3-dibutyl-1,3-dichloro-1,3-disiletane is CCCC[Si]1(Cl)C[Si](Cl)(CCCC)C1.
What is the InChIKey of 1,3-dibutyl-1,3-dichloro-1,3-disiletane?
The InChIKey is CWYXPQRLSUVFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Cl2Si2/c1-3-5-7-13(11)9-14(12,10-13)8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1,3-dibutyl-1,3-dichloro-1,3-disiletane?
1,3-dibutyl-1,3-dichloro-1,3-disiletane has a molecular weight of 269.36 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1,3-dichloro-1,3-disiletane is sourced from PubChem (CID 163405863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).