3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one

C23H56O5Si5 — CID 20750492

IUPAC3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one
SMILESCCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C23H56O5Si5/c1-14-15-16-17-18-19-20-21-23(22(2)24)33(13,27-31(9,10)25-29(3,4)5)28-32(11,12)26-30(6,7)8/h23H,14-21H2,1-13H3
InChIKeyQGKPWUWSLPDWMW-UHFFFAOYSA-N
MW553.13 g/mol
LogP8.30
Rot. Bonds18

About 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one

3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one (PubChem CID 20750492) has the molecular formula C23H56O5Si5 and a molecular weight of 553.13 g/mol. Its IUPAC name is 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one.

Molecular Properties

Compound Name3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one
PubChem CID20750492
Molecular FormulaC23H56O5Si5
Molecular Weight553.13 g/mol
Exact Mass552.30
IUPAC Name3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one
SMILESCCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C23H56O5Si5/c1-14-15-16-17-18-19-20-21-23(22(2)24)33(13,27-31(9,10)25-29(3,4)5)28-32(11,12)26-30(6,7)8/h23H,14-21H2,1-13H3
InChIKeyQGKPWUWSLPDWMW-UHFFFAOYSA-N
XLogP8.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.13
LogP ≤ 58.30
H-Bond Donors ≤ 50
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 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-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

8-Trimethylsilyltetradecan-7-one
CID 12524696
7-(Trimethylsilyl)dodecan-6-one
CID 13048500
5-[Dimethyl(propan-2-yloxy)silyl]undecan-4-one
CID 134889798
3-[Dimethyl(propan-2-yloxy)silyl]decan-4-one
CID 135049385
8-[Dimethyl(propan-2-yloxy)silyl]tetradecan-7-one
CID 135049559
1,17-Bis(trimethylsilyl)heptadecane-3,15-dione
CID 139254511
1,15-Bis(trimethylsilyl)pentadeca-1,14-diyne-3,13-dione
CID 101840274
1,17-Bis(trimethylsilyl)heptadeca-1,16-diyne-3,15-dione
CID 101840276
1,18-Bis(trimethylsilyl)octadeca-1,17-diyne-3,16-dione
CID 101840277
1-[2,4,6-Tri(dodecanoyl)-4,6,8-trimethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]tridecan-2-one
CID 54400308
1-[Dimethyl(4,7,10-trioxoundecanoyl)silyl]undecane-1,4,7,10-tetrone
CID 57146867
6-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]hexan-2-one
CID 59854365

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one?
The IUPAC name of 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one (CID 20750492) is 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one.
What is the SMILES notation for 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one?
The canonical SMILES for 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one is CCCCCCCCCC(C(C)=O)[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one?
The InChIKey is QGKPWUWSLPDWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H56O5Si5/c1-14-15-16-17-18-19-20-21-23(22(2)24)33(13,27-31(9,10)25-29(3,4)5)28-32(11,12)26-30(6,7)8/h23H,14-21H2,1-13H3.
What are the key properties of 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one?
3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one has a molecular weight of 553.13 g/mol, XLogP of 8.30, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]dodecan-2-one is sourced from PubChem (CID 20750492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).