CID 157055596

C29H43F6O2Si2 — CID 157055596

IUPAC—
SMILESCC[Si](CC)CCc1cccc(C(F)(F)F)c1.COO[Si](CCc1cccc(C(F)(F)F)c1)(C(C)C)C(C)C
InChIInChI=1S/C16H25F3O2Si.C13H18F3Si/c1-12(2)22(13(3)4,21-20-5)10-9-14-7-6-8-15(11-14)16(17,18)19;1-3-17(4-2)9-8-11-6-5-7-12(10-11)13(14,15)16/h6-8,11-13H,9-10H2,1-5H3;5-7,10H,3-4,8-9H2,1-2H3
InChIKeyAEQXKAJYBFKDRO-UHFFFAOYSA-N
MW593.82 g/mol
LogP10.37
Rot. Bonds12

About CID 157055596

CID 157055596 (PubChem CID 157055596) has the molecular formula C29H43F6O2Si2 and a molecular weight of 593.82 g/mol.

Molecular Properties

Compound NameCID 157055596
PubChem CID157055596
Molecular FormulaC29H43F6O2Si2
Molecular Weight593.82 g/mol
Exact Mass593.27
IUPAC Name—
SMILESCC[Si](CC)CCc1cccc(C(F)(F)F)c1.COO[Si](CCc1cccc(C(F)(F)F)c1)(C(C)C)C(C)C
InChIInChI=1S/C16H25F3O2Si.C13H18F3Si/c1-12(2)22(13(3)4,21-20-5)10-9-14-7-6-8-15(11-14)16(17,18)19;1-3-17(4-2)9-8-11-6-5-7-12(10-11)13(14,15)16/h6-8,11-13H,9-10H2,1-5H3;5-7,10H,3-4,8-9H2,1-2H3
InChIKeyAEQXKAJYBFKDRO-UHFFFAOYSA-N
XLogP10.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.82
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
CID 90171032
CID 90171032
CID 90174130
CID 90174130
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
CID 90171829
CID 90171829
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609

Frequently Asked Questions

What is the IUPAC name of CID 157055596?
The IUPAC name of CID 157055596 (CID 157055596) is not available.
What is the SMILES notation for CID 157055596?
The canonical SMILES for CID 157055596 is CC[Si](CC)CCc1cccc(C(F)(F)F)c1.COO[Si](CCc1cccc(C(F)(F)F)c1)(C(C)C)C(C)C.
What is the InChIKey of CID 157055596?
The InChIKey is AEQXKAJYBFKDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2Si.C13H18F3Si/c1-12(2)22(13(3)4,21-20-5)10-9-14-7-6-8-15(11-14)16(17,18)19;1-3-17(4-2)9-8-11-6-5-7-12(10-11)13(14,15)16/h6-8,11-13H,9-10H2,1-5H3;5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of CID 157055596?
CID 157055596 has a molecular weight of 593.82 g/mol, XLogP of 10.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157055596 is sourced from PubChem (CID 157055596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).