(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one

C14H30OSi — CID 134883201

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one
SMILESCCCCC(=O)[C@H](CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeyGHAOAJMNSBBVGW-ZDUSSCGKSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one

(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one (PubChem CID 134883201) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one
PubChem CID134883201
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one
SMILESCCCCC(=O)[C@H](CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m0/s1
InChIKeyGHAOAJMNSBBVGW-ZDUSSCGKSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-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 (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one (CID 134883201) is (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one is CCCCC(=O)[C@H](CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one?
The InChIKey is GHAOAJMNSBBVGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30OSi/c1-8-10-11-12(15)13(9-2)16(6,7)14(3,4)5/h13H,8-11H2,1-7H3/t13-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one?
(3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one has a molecular weight of 242.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]octan-4-one is sourced from PubChem (CID 134883201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).