7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one

C18H38O5Si2 — CID 88858718

IUPAC7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one
SMILESC[Si](C)(CC(=O)CCCCCO)O[Si](C)(C)CC(=O)CCCCCO
InChIInChI=1S/C18H38O5Si2/c1-24(2,15-17(21)11-7-5-9-13-19)23-25(3,4)16-18(22)12-8-6-10-14-20/h19-20H,5-16H2,1-4H3
InChIKeyJWSLWQRJLXDJBL-UHFFFAOYSA-N
MW390.67 g/mol
LogP3.66
Rot. Bonds16

About 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one

7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one (PubChem CID 88858718) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one.

Molecular Properties

Compound Name7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one
PubChem CID88858718
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one
SMILESC[Si](C)(CC(=O)CCCCCO)O[Si](C)(C)CC(=O)CCCCCO
InChIInChI=1S/C18H38O5Si2/c1-24(2,15-17(21)11-7-5-9-13-19)23-25(3,4)16-18(22)12-8-6-10-14-20/h19-20H,5-16H2,1-4H3
InChIKeyJWSLWQRJLXDJBL-UHFFFAOYSA-N
XLogP3.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one?
The IUPAC name of 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one (CID 88858718) is 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one.
What is the SMILES notation for 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one?
The canonical SMILES for 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one is C[Si](C)(CC(=O)CCCCCO)O[Si](C)(C)CC(=O)CCCCCO.
What is the InChIKey of 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one?
The InChIKey is JWSLWQRJLXDJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-24(2,15-17(21)11-7-5-9-13-19)23-25(3,4)16-18(22)12-8-6-10-14-20/h19-20H,5-16H2,1-4H3.
What are the key properties of 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one?
7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one has a molecular weight of 390.67 g/mol, XLogP of 3.66, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-[[(7-hydroxy-2-oxoheptyl)-dimethylsilyl]oxy-dimethylsilyl]heptan-2-one is sourced from PubChem (CID 88858718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).