1,3-dithian-2-yl-tri(propan-2-yl)silane

C13H28S2Si — CID 4598885

IUPAC1,3-dithian-2-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1SCCCS1
InChIInChI=1S/C13H28S2Si/c1-10(2)16(11(3)4,12(5)6)13-14-8-7-9-15-13/h10-13H,7-9H2,1-6H3
InChIKeyRDHMCAVXJVTKDB-UHFFFAOYSA-N
MW276.59 g/mol
LogP5.40
Rot. Bonds4

About 1,3-dithian-2-yl-tri(propan-2-yl)silane

1,3-dithian-2-yl-tri(propan-2-yl)silane (PubChem CID 4598885) has the molecular formula C13H28S2Si and a molecular weight of 276.59 g/mol. Its IUPAC name is 1,3-dithian-2-yl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name1,3-dithian-2-yl-tri(propan-2-yl)silane
PubChem CID4598885
Molecular FormulaC13H28S2Si
Molecular Weight276.59 g/mol
Exact Mass276.14
IUPAC Name1,3-dithian-2-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1SCCCS1
InChIInChI=1S/C13H28S2Si/c1-10(2)16(11(3)4,12(5)6)13-14-8-7-9-15-13/h10-13H,7-9H2,1-6H3
InChIKeyRDHMCAVXJVTKDB-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3-dithian-2-yl-tri(propan-2-yl)silane?
The IUPAC name of 1,3-dithian-2-yl-tri(propan-2-yl)silane (CID 4598885) is 1,3-dithian-2-yl-tri(propan-2-yl)silane.
What is the SMILES notation for 1,3-dithian-2-yl-tri(propan-2-yl)silane?
The canonical SMILES for 1,3-dithian-2-yl-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl-tri(propan-2-yl)silane?
The InChIKey is RDHMCAVXJVTKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28S2Si/c1-10(2)16(11(3)4,12(5)6)13-14-8-7-9-15-13/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,3-dithian-2-yl-tri(propan-2-yl)silane?
1,3-dithian-2-yl-tri(propan-2-yl)silane has a molecular weight of 276.59 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl-tri(propan-2-yl)silane is sourced from PubChem (CID 4598885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).