fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane

C27H57FSi — CID 124629074

IUPACfluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane
SMILESC[C@H](CC[Si](F)(CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C27H57FSi/c1-22(19-25(4,5)6)13-16-29(28,17-14-23(2)20-26(7,8)9)18-15-24(3)21-27(10,11)12/h22-24H,13-21H2,1-12H3/t22-,23-,24+/m1/s1
InChIKeyDOVZSAPEEYIGFE-SMIHKQSGSA-N
MW428.84 g/mol
LogP10.29
Rot. Bonds12

About fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane

fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane (PubChem CID 124629074) has the molecular formula C27H57FSi and a molecular weight of 428.84 g/mol. Its IUPAC name is fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane.

Molecular Properties

Compound Namefluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane
PubChem CID124629074
Molecular FormulaC27H57FSi
Molecular Weight428.84 g/mol
Exact Mass428.42
IUPAC Namefluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane
SMILESC[C@H](CC[Si](F)(CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C27H57FSi/c1-22(19-25(4,5)6)13-16-29(28,17-14-23(2)20-26(7,8)9)18-15-24(3)21-27(10,11)12/h22-24H,13-21H2,1-12H3/t22-,23-,24+/m1/s1
InChIKeyDOVZSAPEEYIGFE-SMIHKQSGSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane?
The IUPAC name of fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane (CID 124629074) is fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane.
What is the SMILES notation for fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane?
The canonical SMILES for fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane is C[C@H](CC[Si](F)(CC[C@@H](C)CC(C)(C)C)CC[C@H](C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane?
The InChIKey is DOVZSAPEEYIGFE-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H57FSi/c1-22(19-25(4,5)6)13-16-29(28,17-14-23(2)20-26(7,8)9)18-15-24(3)21-27(10,11)12/h22-24H,13-21H2,1-12H3/t22-,23-,24+/m1/s1.
What are the key properties of fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane?
fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane has a molecular weight of 428.84 g/mol, XLogP of 10.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-bis[(3S)-3,5,5-trimethylhexyl]-[(3R)-3,5,5-trimethylhexyl]silane is sourced from PubChem (CID 124629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).