dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane

C23H43F3O2Si — CID 170689083

IUPACdimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCOCCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H43F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-14,16-19,21H2,1-4H3
InChIKeyLUPMGUZCCYCBNP-UHFFFAOYSA-N
MW436.68 g/mol
LogP7.53
Rot. Bonds17

About dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 170689083) has the molecular formula C23H43F3O2Si and a molecular weight of 436.68 g/mol. Its IUPAC name is dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane
PubChem CID170689083
Molecular FormulaC23H43F3O2Si
Molecular Weight436.68 g/mol
Exact Mass436.30
IUPAC Namedimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESCC(C)OCCOCCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C23H43F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-14,16-19,21H2,1-4H3
InChIKeyLUPMGUZCCYCBNP-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane 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

3-[5,5-Difluoro-1-(3,3,5,5,7,7-hexafluorooctoxy)heptan-2-yl]oxypropyl-trimethoxysilane
CID 89088104
1,1,1-Trifluoro-17-(2-propan-2-yloxyethoxy)heptadec-2-yne
CID 170688830
(15,15-Difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane
CID 170688850
Dimethyl-[12-(3-propan-2-yloxypropoxy)dodecyl]-(3,3,3-trifluoropropyl)silane
CID 170688896
(13,13-Difluoro-16-propan-2-yloxyhexadecyl)-trimethylsilane
CID 170688900
Dimethyl-[12-(3-propan-2-yloxypropoxy)dodec-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 170688923
(15,15-Difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
CID 170689021
Dimethyl-[13-(2-propan-2-yloxyethoxy)tridecyl]-(3,3,3-trifluoropropyl)silane
CID 170689043
Dimethyl-(12-propoxydodec-1-ynyl)-(3,3,3-trifluoropropyl)silane
CID 173922218
13-Ethoxytridec-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
CID 173922223
Trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
Ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane
CID 170688855

Frequently Asked Questions

What is the IUPAC name of dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane (CID 170689083) is dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane is CC(C)OCCOCCCCCCCCCCCC#C[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is LUPMGUZCCYCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43F3O2Si/c1-22(2)28-19-18-27-17-14-12-10-8-6-5-7-9-11-13-15-20-29(3,4)21-16-23(24,25)26/h22H,5-14,16-19,21H2,1-4H3.
What are the key properties of dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 436.68 g/mol, XLogP of 7.53, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[13-(2-propan-2-yloxyethoxy)tridec-1-ynyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 170689083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).