1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol

C18H37FO3Si — CID 143247526

IUPAC1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
SMILESCCCC[Si]1(CCCC)OCC(CC)C(C(O)C(CC)CF)O1
InChIInChI=1S/C18H37FO3Si/c1-5-9-11-23(12-10-6-2)21-14-16(8-4)18(22-23)17(20)15(7-3)13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyHCNZYEFUXDIEQW-UHFFFAOYSA-N
MW348.58 g/mol
LogP4.83
Rot. Bonds11

About 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol

1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol (PubChem CID 143247526) has the molecular formula C18H37FO3Si and a molecular weight of 348.58 g/mol. Its IUPAC name is 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol.

Molecular Properties

Compound Name1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
PubChem CID143247526
Molecular FormulaC18H37FO3Si
Molecular Weight348.58 g/mol
Exact Mass348.25
IUPAC Name1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
SMILESCCCC[Si]1(CCCC)OCC(CC)C(C(O)C(CC)CF)O1
InChIInChI=1S/C18H37FO3Si/c1-5-9-11-23(12-10-6-2)21-14-16(8-4)18(22-23)17(20)15(7-3)13-19/h15-18,20H,5-14H2,1-4H3
InChIKeyHCNZYEFUXDIEQW-UHFFFAOYSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-4-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882787
(2R,3S,5R)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882811
(2R,3S,5S)-5-fluoro-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
CID 70882991
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
CID 11403559
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(3S)-3-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]butane-1,2-diol
CID 16680393
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973
(3R,4R,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278788
(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278790
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(2R,4S,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014072
(2R,4R,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynonan-1-ol
CID 135014073

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol?
The IUPAC name of 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol (CID 143247526) is 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol.
What is the SMILES notation for 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol?
The canonical SMILES for 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol is CCCC[Si]1(CCCC)OCC(CC)C(C(O)C(CC)CF)O1.
What is the InChIKey of 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol?
The InChIKey is HCNZYEFUXDIEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FO3Si/c1-5-9-11-23(12-10-6-2)21-14-16(8-4)18(22-23)17(20)15(7-3)13-19/h15-18,20H,5-14H2,1-4H3.
What are the key properties of 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol?
1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol has a molecular weight of 348.58 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol is sourced from PubChem (CID 143247526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).