2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene

C9H18O4Si4 — CID 174697109

IUPAC2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene
SMILESC=Cc1ccccc1.C[SiH]1O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C8H8.CH10O4Si4/c1-2-8-6-4-3-5-7-8;1-9-4-7-2-6-3-8-5-9/h2-7H,1H2;9H,6-8H2,1H3
InChIKeyWPMDMXAAQHMXER-UHFFFAOYSA-N
MW302.58 g/mol
LogP-0.76
Rot. Bonds1

About 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene

2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene (PubChem CID 174697109) has the molecular formula C9H18O4Si4 and a molecular weight of 302.58 g/mol. Its IUPAC name is 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene.

Molecular Properties

Compound Name2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene
PubChem CID174697109
Molecular FormulaC9H18O4Si4
Molecular Weight302.58 g/mol
Exact Mass302.03
IUPAC Name2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene
SMILESC=Cc1ccccc1.C[SiH]1O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/C8H8.CH10O4Si4/c1-2-8-6-4-3-5-7-8;1-9-4-7-2-6-3-8-5-9/h2-7H,1H2;9H,6-8H2,1H3
InChIKeyWPMDMXAAQHMXER-UHFFFAOYSA-N
XLogP-0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.58
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene?
The IUPAC name of 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene (CID 174697109) is 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene.
What is the SMILES notation for 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene?
The canonical SMILES for 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene is C=Cc1ccccc1.C[SiH]1O[SiH2]O[SiH2]O[SiH2]O1.
What is the InChIKey of 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene?
The InChIKey is WPMDMXAAQHMXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.CH10O4Si4/c1-2-8-6-4-3-5-7-8;1-9-4-7-2-6-3-8-5-9/h2-7H,1H2;9H,6-8H2,1H3.
What are the key properties of 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene?
2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene has a molecular weight of 302.58 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;styrene is sourced from PubChem (CID 174697109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).