dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane

C18H29F3O3Si — CID 90175181

IUPACdimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
SMILESCO[Si](CCCCCCc1ccc(C(F)(F)F)cc1)(OC)OC(C)C
InChIInChI=1S/C18H29F3O3Si/c1-15(2)24-25(22-3,23-4)14-8-6-5-7-9-16-10-12-17(13-11-16)18(19,20)21/h10-13,15H,5-9,14H2,1-4H3
InChIKeyLCPKCCRNXDPKMH-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.47
Rot. Bonds11

About dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane

dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane (PubChem CID 90175181) has the molecular formula C18H29F3O3Si and a molecular weight of 378.51 g/mol. Its IUPAC name is dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane.

Molecular Properties

Compound Namedimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
PubChem CID90175181
Molecular FormulaC18H29F3O3Si
Molecular Weight378.51 g/mol
Exact Mass378.18
IUPAC Namedimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
SMILESCO[Si](CCCCCCc1ccc(C(F)(F)F)cc1)(OC)OC(C)C
InChIInChI=1S/C18H29F3O3Si/c1-15(2)24-25(22-3,23-4)14-8-6-5-7-9-16-10-12-17(13-11-16)18(19,20)21/h10-13,15H,5-9,14H2,1-4H3
InChIKeyLCPKCCRNXDPKMH-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096
trihydroxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90170967
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
trimethoxy(12-phenyldodecyl)silane
CID 54325157
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-[4-(1,1-dimethoxypropyl)dodecyl]-4-(trifluoromethyl)benzene
CID 152548606
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048

Frequently Asked Questions

What is the IUPAC name of dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The IUPAC name of dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane (CID 90175181) is dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane.
What is the SMILES notation for dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The canonical SMILES for dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane is CO[Si](CCCCCCc1ccc(C(F)(F)F)cc1)(OC)OC(C)C.
What is the InChIKey of dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
The InChIKey is LCPKCCRNXDPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O3Si/c1-15(2)24-25(22-3,23-4)14-8-6-5-7-9-16-10-12-17(13-11-16)18(19,20)21/h10-13,15H,5-9,14H2,1-4H3.
What are the key properties of dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane?
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane has a molecular weight of 378.51 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane is sourced from PubChem (CID 90175181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).