1,2,2-trimethylsiletane

C6H14Si — CID 123582844

IUPAC1,2,2-trimethylsiletane
SMILESC[SiH]1CCC1(C)C
InChIInChI=1S/C6H14Si/c1-6(2)4-5-7(6)3/h7H,4-5H2,1-3H3
InChIKeyMMOYPGQJGFAJSM-UHFFFAOYSA-N
MW114.26 g/mol
LogP2.03
Rot. Bonds

About 1,2,2-trimethylsiletane

1,2,2-trimethylsiletane (PubChem CID 123582844) has the molecular formula C6H14Si and a molecular weight of 114.26 g/mol. Its IUPAC name is 1,2,2-trimethylsiletane.

Molecular Properties

Compound Name1,2,2-trimethylsiletane
PubChem CID123582844
Molecular FormulaC6H14Si
Molecular Weight114.26 g/mol
Exact Mass114.09
IUPAC Name1,2,2-trimethylsiletane
SMILESC[SiH]1CCC1(C)C
InChIInChI=1S/C6H14Si/c1-6(2)4-5-7(6)3/h7H,4-5H2,1-3H3
InChIKeyMMOYPGQJGFAJSM-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.26
LogP ≤ 52.03
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 1,2,2-trimethylsiletane?
The IUPAC name of 1,2,2-trimethylsiletane (CID 123582844) is 1,2,2-trimethylsiletane.
What is the SMILES notation for 1,2,2-trimethylsiletane?
The canonical SMILES for 1,2,2-trimethylsiletane is C[SiH]1CCC1(C)C.
What is the InChIKey of 1,2,2-trimethylsiletane?
The InChIKey is MMOYPGQJGFAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Si/c1-6(2)4-5-7(6)3/h7H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylsiletane?
1,2,2-trimethylsiletane has a molecular weight of 114.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylsiletane is sourced from PubChem (CID 123582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).