trihydroxy(4-trihydroxysilylheptan-4-yl)silane

C7H20O6Si2 — CID 139769925

IUPACtrihydroxy(4-trihydroxysilylheptan-4-yl)silane
SMILESCCCC(CCC)([Si](O)(O)O)[Si](O)(O)O
InChIInChI=1S/C7H20O6Si2/c1-3-5-7(6-4-2,14(8,9)10)15(11,12)13/h8-13H,3-6H2,1-2H3
InChIKeyBSBLWZCFMNQJSY-UHFFFAOYSA-N
MW256.40 g/mol
LogP-1.30
Rot. Bonds6

About trihydroxy(4-trihydroxysilylheptan-4-yl)silane

trihydroxy(4-trihydroxysilylheptan-4-yl)silane (PubChem CID 139769925) has the molecular formula C7H20O6Si2 and a molecular weight of 256.40 g/mol. Its IUPAC name is trihydroxy(4-trihydroxysilylheptan-4-yl)silane.

Molecular Properties

Compound Nametrihydroxy(4-trihydroxysilylheptan-4-yl)silane
PubChem CID139769925
Molecular FormulaC7H20O6Si2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC Nametrihydroxy(4-trihydroxysilylheptan-4-yl)silane
SMILESCCCC(CCC)([Si](O)(O)O)[Si](O)(O)O
InChIInChI=1S/C7H20O6Si2/c1-3-5-7(6-4-2,14(8,9)10)15(11,12)13/h8-13H,3-6H2,1-2H3
InChIKeyBSBLWZCFMNQJSY-UHFFFAOYSA-N
XLogP-1.30
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trihydroxy(3-trihydroxysilylpentan-3-yl)silane
CID 139769934
hydroxy-tris(2-methylpentan-2-yl)silane
CID 87942452
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
N,4-dimethylheptan-4-amine;ethane
CID 143105274
butane-1,1,1-triol;hydrochloride
CID 140976874
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
propane;silicic acid
CID 88762660
4-propylheptan-4-ylphosphanium hexafluorophosphate
CID 142699161
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
2,4-dimethylheptane-2,3,4-triol
CID 141035400
2-ethyl-2-propylpentanamide
CID 10352144

Frequently Asked Questions

What is the IUPAC name of trihydroxy(4-trihydroxysilylheptan-4-yl)silane?
The IUPAC name of trihydroxy(4-trihydroxysilylheptan-4-yl)silane (CID 139769925) is trihydroxy(4-trihydroxysilylheptan-4-yl)silane.
What is the SMILES notation for trihydroxy(4-trihydroxysilylheptan-4-yl)silane?
The canonical SMILES for trihydroxy(4-trihydroxysilylheptan-4-yl)silane is CCCC(CCC)([Si](O)(O)O)[Si](O)(O)O.
What is the InChIKey of trihydroxy(4-trihydroxysilylheptan-4-yl)silane?
The InChIKey is BSBLWZCFMNQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20O6Si2/c1-3-5-7(6-4-2,14(8,9)10)15(11,12)13/h8-13H,3-6H2,1-2H3.
What are the key properties of trihydroxy(4-trihydroxysilylheptan-4-yl)silane?
trihydroxy(4-trihydroxysilylheptan-4-yl)silane has a molecular weight of 256.40 g/mol, XLogP of -1.30, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(4-trihydroxysilylheptan-4-yl)silane is sourced from PubChem (CID 139769925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).