1,1,2,3,5-pentamethylsilole

C9H16Si — CID 58038627

IUPAC1,1,2,3,5-pentamethylsilole
SMILESCC1=CC(C)=C(C)[Si]1(C)C
InChIInChI=1S/C9H16Si/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3
InChIKeyNBEBTWGDTPRURS-UHFFFAOYSA-N
MW152.31 g/mol
LogP3.07
Rot. Bonds

About 1,1,2,3,5-pentamethylsilole

1,1,2,3,5-pentamethylsilole (PubChem CID 58038627) has the molecular formula C9H16Si and a molecular weight of 152.31 g/mol. Its IUPAC name is 1,1,2,3,5-pentamethylsilole.

Molecular Properties

Compound Name1,1,2,3,5-pentamethylsilole
PubChem CID58038627
Molecular FormulaC9H16Si
Molecular Weight152.31 g/mol
Exact Mass152.10
IUPAC Name1,1,2,3,5-pentamethylsilole
SMILESCC1=CC(C)=C(C)[Si]1(C)C
InChIInChI=1S/C9H16Si/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3
InChIKeyNBEBTWGDTPRURS-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.31
LogP ≤ 53.07
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 1,1,2,3,5-pentamethylsilole?
The IUPAC name of 1,1,2,3,5-pentamethylsilole (CID 58038627) is 1,1,2,3,5-pentamethylsilole.
What is the SMILES notation for 1,1,2,3,5-pentamethylsilole?
The canonical SMILES for 1,1,2,3,5-pentamethylsilole is CC1=CC(C)=C(C)[Si]1(C)C.
What is the InChIKey of 1,1,2,3,5-pentamethylsilole?
The InChIKey is NBEBTWGDTPRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Si/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3.
What are the key properties of 1,1,2,3,5-pentamethylsilole?
1,1,2,3,5-pentamethylsilole has a molecular weight of 152.31 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,5-pentamethylsilole is sourced from PubChem (CID 58038627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).