2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione

C14H24O6Si2 — CID 101392899

IUPAC2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
SMILESC[Si](O)(O)CCCC1=CC(=O)C(CCC[Si](C)(O)O)=CC1=O
InChIInChI=1S/C14H24O6Si2/c1-21(17,18)7-3-5-11-9-14(16)12(10-13(11)15)6-4-8-22(2,19)20/h9-10,17-20H,3-8H2,1-2H3
InChIKeyUBHMCMLSORIRLO-UHFFFAOYSA-N
MW344.51 g/mol
LogP0.66
Rot. Bonds8

About 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione

2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 101392899) has the molecular formula C14H24O6Si2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID101392899
Molecular FormulaC14H24O6Si2
Molecular Weight344.51 g/mol
Exact Mass344.11
IUPAC Name2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
SMILESC[Si](O)(O)CCCC1=CC(=O)C(CCC[Si](C)(O)O)=CC1=O
InChIInChI=1S/C14H24O6Si2/c1-21(17,18)7-3-5-11-9-14(16)12(10-13(11)15)6-4-8-22(2,19)20/h9-10,17-20H,3-8H2,1-2H3
InChIKeyUBHMCMLSORIRLO-UHFFFAOYSA-N
XLogP0.66
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione (CID 101392899) is 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione is C[Si](O)(O)CCCC1=CC(=O)C(CCC[Si](C)(O)O)=CC1=O.
What is the InChIKey of 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is UBHMCMLSORIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si2/c1-21(17,18)7-3-5-11-9-14(16)12(10-13(11)15)6-4-8-22(2,19)20/h9-10,17-20H,3-8H2,1-2H3.
What are the key properties of 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 344.51 g/mol, XLogP of 0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-[dihydroxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 101392899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).