1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane

C30H66Si3 — CID 13212294

IUPAC1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane
SMILESCCC(CC)[Si]1(C(CC)CC)[Si](C(CC)CC)(C(CC)CC)[Si]1(C(CC)CC)C(CC)CC
InChIInChI=1S/C30H66Si3/c1-13-25(14-2)31(26(15-3)16-4)32(27(17-5)18-6,28(19-7)20-8)33(31,29(21-9)22-10)30(23-11)24-12/h25-30H,13-24H2,1-12H3
InChIKeyXMJJXMXAWAKTPA-UHFFFAOYSA-N
MW511.12 g/mol
LogP11.72
Rot. Bonds18

About 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane

1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane (PubChem CID 13212294) has the molecular formula C30H66Si3 and a molecular weight of 511.12 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane
PubChem CID13212294
Molecular FormulaC30H66Si3
Molecular Weight511.12 g/mol
Exact Mass510.45
IUPAC Name1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane
SMILESCCC(CC)[Si]1(C(CC)CC)[Si](C(CC)CC)(C(CC)CC)[Si]1(C(CC)CC)C(CC)CC
InChIInChI=1S/C30H66Si3/c1-13-25(14-2)31(26(15-3)16-4)32(27(17-5)18-6,28(19-7)20-8)33(31,29(21-9)22-10)30(23-11)24-12/h25-30H,13-24H2,1-12H3
InChIKeyXMJJXMXAWAKTPA-UHFFFAOYSA-N
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.12
LogP ≤ 511.72
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-hexa(pentan-3-yl)trisilirane?
The IUPAC name of 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane (CID 13212294) is 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane.
What is the SMILES notation for 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane?
The canonical SMILES for 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane is CCC(CC)[Si]1(C(CC)CC)[Si](C(CC)CC)(C(CC)CC)[Si]1(C(CC)CC)C(CC)CC.
What is the InChIKey of 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane?
The InChIKey is XMJJXMXAWAKTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66Si3/c1-13-25(14-2)31(26(15-3)16-4)32(27(17-5)18-6,28(19-7)20-8)33(31,29(21-9)22-10)30(23-11)24-12/h25-30H,13-24H2,1-12H3.
What are the key properties of 1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane?
1,1,2,2,3,3-hexa(pentan-3-yl)trisilirane has a molecular weight of 511.12 g/mol, XLogP of 11.72, 18 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-hexa(pentan-3-yl)trisilirane is sourced from PubChem (CID 13212294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).