[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane

C18H35FOSi — CID 10495501

IUPAC[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane
SMILESC=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)F)C1CCCCC1
InChIInChI=1S/C18H35FOSi/c1-5-7-9-15-18(21(3,4)19)20-17(12-6-2)16-13-10-8-11-14-16/h6,16-18H,2,5,7-15H2,1,3-4H3/t17-,18+/m1/s1
InChIKeyNOLYTBQRPWIIFS-MSOLQXFVSA-N
MW314.56 g/mol
LogP6.19
Rot. Bonds10

About [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane

[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane (PubChem CID 10495501) has the molecular formula C18H35FOSi and a molecular weight of 314.56 g/mol. Its IUPAC name is [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane
PubChem CID10495501
Molecular FormulaC18H35FOSi
Molecular Weight314.56 g/mol
Exact Mass314.24
IUPAC Name[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane
SMILESC=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)F)C1CCCCC1
InChIInChI=1S/C18H35FOSi/c1-5-7-9-15-18(21(3,4)19)20-17(12-6-2)16-13-10-8-11-14-16/h6,16-18H,2,5,7-15H2,1,3-4H3/t17-,18+/m1/s1
InChIKeyNOLYTBQRPWIIFS-MSOLQXFVSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 56.19
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

tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 141638158
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
CID 161112104
Tert-butyl-[1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 173781464
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
[(E)-2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethenyl]-trimethylsilane
CID 11085456
tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
[(E)-2-[(2R,3R)-3-cyclohexyloxiran-2-yl]ethenyl]-trimethylsilane
CID 11831083
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-dimethyl-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 134960630
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
CID 135010036

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane?
The IUPAC name of [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane (CID 10495501) is [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane.
What is the SMILES notation for [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane?
The canonical SMILES for [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane is C=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)F)C1CCCCC1.
What is the InChIKey of [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane?
The InChIKey is NOLYTBQRPWIIFS-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H35FOSi/c1-5-7-9-15-18(21(3,4)19)20-17(12-6-2)16-13-10-8-11-14-16/h6,16-18H,2,5,7-15H2,1,3-4H3/t17-,18+/m1/s1.
What are the key properties of [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane?
[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane has a molecular weight of 314.56 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane is sourced from PubChem (CID 10495501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).