6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one

C17H36O3Si — CID 25111743

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
SMILESCC(=O)CCCC(CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h16,18H,7-14H2,1-6H3
InChIKeyKKUGCIWCTOARPG-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.69
Rot. Bonds11

About 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one

6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one (PubChem CID 25111743) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
PubChem CID25111743
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one
SMILESCC(=O)CCCC(CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h16,18H,7-14H2,1-6H3
InChIKeyKKUGCIWCTOARPG-UHFFFAOYSA-N
XLogP4.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-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

Related Compounds

(5R)-5-hydroxyhexacosan-9-one
CID 162918059
(5R)-5-hydroxytriacontan-9-one
CID 162957115
(5R)-5-hydroxyoctacosan-9-one
CID 163023015
6-[Tert-butyl(dimethyl)silyl]oxy-10-oxoundecanal
CID 25111742
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
(2R,9S)-9,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxyundecan-5-one
CID 102319669
(2R,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxyundecan-5-one
CID 134940447
(5S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxynonan-2-one
CID 135037790
(5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoic acid
CID 166449040
8-Hydroxy-6-(trimethylsilyl)-2-nonanone
CID 365971
12-Hydroxystearic acid, mono-TBDMS
CID 91752554
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]tridecan-6-one
CID 11201973

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one (CID 25111743) is 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one is CC(=O)CCCC(CCCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one?
The InChIKey is KKUGCIWCTOARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-15(19)11-10-13-16(12-8-7-9-14-18)20-21(5,6)17(2,3)4/h16,18H,7-14H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one?
6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one has a molecular weight of 316.56 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-11-hydroxyundecan-2-one is sourced from PubChem (CID 25111743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).