fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane

C15H29FOSi — CID 10802175

IUPACfluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane
SMILESC=CC[C@H](/C=C/C)O[C@H](CCCCC)[Si](C)(C)F
InChIInChI=1S/C15H29FOSi/c1-6-9-10-13-15(18(4,5)16)17-14(11-7-2)12-8-3/h7-8,12,14-15H,2,6,9-11,13H2,1,3-5H3/b12-8+/t14-,15+/m1/s1
InChIKeyVVOSRAYQOPCFDG-QQAGXBGCSA-N
MW272.48 g/mol
LogP5.19
Rot. Bonds10

About fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane

fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane (PubChem CID 10802175) has the molecular formula C15H29FOSi and a molecular weight of 272.48 g/mol. Its IUPAC name is fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane.

Molecular Properties

Compound Namefluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane
PubChem CID10802175
Molecular FormulaC15H29FOSi
Molecular Weight272.48 g/mol
Exact Mass272.20
IUPAC Namefluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane
SMILESC=CC[C@H](/C=C/C)O[C@H](CCCCC)[Si](C)(C)F
InChIInChI=1S/C15H29FOSi/c1-6-9-10-13-15(18(4,5)16)17-14(11-7-2)12-8-3/h7-8,12,14-15H,2,6,9-11,13H2,1,3-5H3/b12-8+/t14-,15+/m1/s1
InChIKeyVVOSRAYQOPCFDG-QQAGXBGCSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-(2-prop-1-enyloxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 173239499
Methyl-[2-(5,5,5-trifluoropent-1-enyl)oxan-2-yl]silane
CID 174694018
(2-Prop-1-enyloxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 175097953
Trimethyl-(2-octyl-2,5-dihydrofuran-3-yl)silane
CID 13382784
Trimethyl-(2-methyl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567510
Trimethyl-(2-pentyl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567512
trimethyl-[(E)-3-(oxan-2-yl)prop-2-enyl]silane
CID 102392643
trimethyl-[[5-[(E)-oct-5-enyl]-2,5-dihydrofuran-2-yl]methyl]silane
CID 134997144
trimethyl-[(E)-[(2S,6S)-2-[(E)-prop-1-enyl]-6-propyloxan-4-ylidene]methyl]silane
CID 135041561
fluoro-dimethyl-[(1S)-1-[(2S)-pent-4-en-2-yl]oxyhexyl]silane
CID 10848054
(3-Dimethylsilyl-5-ethoxycyclohex-3-en-1-yl)-dimethylsilane
CID 123543373
Dimethyl-(2-prop-1-enyloxan-2-yl)silane
CID 123670326

Frequently Asked Questions

What is the IUPAC name of fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane?
The IUPAC name of fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane (CID 10802175) is fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane.
What is the SMILES notation for fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane?
The canonical SMILES for fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane is C=CC[C@H](/C=C/C)O[C@H](CCCCC)[Si](C)(C)F.
What is the InChIKey of fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane?
The InChIKey is VVOSRAYQOPCFDG-QQAGXBGCSA-N. The full InChI is InChI=1S/C15H29FOSi/c1-6-9-10-13-15(18(4,5)16)17-14(11-7-2)12-8-3/h7-8,12,14-15H,2,6,9-11,13H2,1,3-5H3/b12-8+/t14-,15+/m1/s1.
What are the key properties of fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane?
fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane has a molecular weight of 272.48 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(1S)-1-[(4R,5E)-hepta-1,5-dien-4-yl]oxyhexyl]-dimethylsilane is sourced from PubChem (CID 10802175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).