1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

C15H24F4O5 — CID 91692289

IUPAC1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESCOCCC(C)CCOC(=O)CCCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C15H24F4O5/c1-11(6-8-22-2)7-9-23-12(20)4-3-5-13(21)24-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3
InChIKeyUKFQVTOIZBWMIX-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.21
Rot. Bonds13

About 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (PubChem CID 91692289) has the molecular formula C15H24F4O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.

Molecular Properties

Compound Name1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
PubChem CID91692289
Molecular FormulaC15H24F4O5
Molecular Weight360.34 g/mol
Exact Mass360.16
IUPAC Name1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESCOCCC(C)CCOC(=O)CCCC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C15H24F4O5/c1-11(6-8-22-2)7-9-23-12(20)4-3-5-13(21)24-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3
InChIKeyUKFQVTOIZBWMIX-UHFFFAOYSA-N
XLogP3.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl hexafluoroglutarate
CID 9874
Bis(2,2,3,3,4,4,5,5-octafluoropentyl) pentanedioate
CID 219174
Dibutyl 3-methylpentanedioate
CID 41695
Diethyl 2,2-difluoro-4-methylpentanedioate
CID 142601676
Bis(3-methylbutyl) pentanedioate
CID 20467430
Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
CID 81273
Diethyl 2,2-difluoropentanedioate
CID 20455495
Bis(2,2,2-trifluoroethyl) glutarate
CID 86173207
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methyl-5-methoxypentyl ester
CID 91692301
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methyl-5-methoxypentyl ester
CID 91692302
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,4,4-trimethylpentyl ester
CID 91693670
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,4-trimethylpentyl ester
CID 91693709

Frequently Asked Questions

What is the IUPAC name of 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The IUPAC name of 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (CID 91692289) is 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.
What is the SMILES notation for 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The canonical SMILES for 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is COCCC(C)CCOC(=O)CCCC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The InChIKey is UKFQVTOIZBWMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F4O5/c1-11(6-8-22-2)7-9-23-12(20)4-3-5-13(21)24-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate has a molecular weight of 360.34 g/mol, XLogP of 3.21, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(5-methoxy-3-methylpentyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is sourced from PubChem (CID 91692289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).