(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one

C16H32O2Si — CID 71378023

IUPAC(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one
SMILESCCCCCC(=O)CCC[C@H](O)CC=C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-5-6-7-10-15(17)11-8-12-16(18)13-9-14-19(2,3)4/h9,14,16,18H,5-8,10-13H2,1-4H3/t16-/m0/s1
InChIKeyOYZBRHMHOKQJGI-INIZCTEOSA-N
MW284.52 g/mol
LogP4.49
Rot. Bonds11

About (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one

(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one (PubChem CID 71378023) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one.

Molecular Properties

Compound Name(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one
PubChem CID71378023
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one
SMILESCCCCCC(=O)CCC[C@H](O)CC=C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-5-6-7-10-15(17)11-8-12-16(18)13-9-14-19(2,3)4/h9,14,16,18H,5-8,10-13H2,1-4H3/t16-/m0/s1
InChIKeyOYZBRHMHOKQJGI-INIZCTEOSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-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 (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one?
The IUPAC name of (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one (CID 71378023) is (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one.
What is the SMILES notation for (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one?
The canonical SMILES for (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one is CCCCCC(=O)CCC[C@H](O)CC=C[Si](C)(C)C.
What is the InChIKey of (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one?
The InChIKey is OYZBRHMHOKQJGI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-5-6-7-10-15(17)11-8-12-16(18)13-9-14-19(2,3)4/h9,14,16,18H,5-8,10-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one?
(10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one has a molecular weight of 284.52 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-hydroxy-13-trimethylsilyltridec-12-en-6-one is sourced from PubChem (CID 71378023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).