[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate

C19H30F2O5 — CID 129119161

IUPAC[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)(C)OC2(C)COC(C)(O)C2(F)F)C1
InChIInChI=1S/C19H30F2O5/c1-12(2)15(22)25-14-9-7-8-13(10-14)16(3,4)26-17(5)11-24-18(6,23)19(17,20)21/h13-14,23H,1,7-11H2,2-6H3
InChIKeyWHQIZNZZZNXFDH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.59
Rot. Bonds5

About [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate

[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 129119161) has the molecular formula C19H30F2O5 and a molecular weight of 376.44 g/mol. Its IUPAC name is [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate
PubChem CID129119161
Molecular FormulaC19H30F2O5
Molecular Weight376.44 g/mol
Exact Mass376.21
IUPAC Name[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C(C)(C)OC2(C)COC(C)(O)C2(F)F)C1
InChIInChI=1S/C19H30F2O5/c1-12(2)15(22)25-14-9-7-8-13(10-14)16(3,4)26-17(5)11-24-18(6,23)19(17,20)21/h13-14,23H,1,7-11H2,2-6H3
InChIKeyWHQIZNZZZNXFDH-UHFFFAOYSA-N
XLogP3.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate (CID 129119161) is [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C(C)(C)OC2(C)COC(C)(O)C2(F)F)C1.
What is the InChIKey of [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is WHQIZNZZZNXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2O5/c1-12(2)15(22)25-14-9-7-8-13(10-14)16(3,4)26-17(5)11-24-18(6,23)19(17,20)21/h13-14,23H,1,7-11H2,2-6H3.
What are the key properties of [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate?
[3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 376.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4,4-difluoro-5-hydroxy-3,5-dimethyloxolan-3-yl)oxypropan-2-yl]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 129119161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).