5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane

C20H31FO5 — CID 57174631

IUPAC5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane
SMILESCCC1(COCc2ccccc2F)CC(OCOCCOC)C(C)(C)O1
InChIInChI=1S/C20H31FO5/c1-5-20(14-24-13-16-8-6-7-9-17(16)21)12-18(19(2,3)26-20)25-15-23-11-10-22-4/h6-9,18H,5,10-15H2,1-4H3
InChIKeyPRYAZSCEDSBVHK-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.70
Rot. Bonds11

About 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane

5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane (PubChem CID 57174631) has the molecular formula C20H31FO5 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane
PubChem CID57174631
Molecular FormulaC20H31FO5
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane
SMILESCCC1(COCc2ccccc2F)CC(OCOCCOC)C(C)(C)O1
InChIInChI=1S/C20H31FO5/c1-5-20(14-24-13-16-8-6-7-9-17(16)21)12-18(19(2,3)26-20)25-15-23-11-10-22-4/h6-9,18H,5,10-15H2,1-4H3
InChIKeyPRYAZSCEDSBVHK-UHFFFAOYSA-N
XLogP3.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane?
The IUPAC name of 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane (CID 57174631) is 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane.
What is the SMILES notation for 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane?
The canonical SMILES for 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane is CCC1(COCc2ccccc2F)CC(OCOCCOC)C(C)(C)O1.
What is the InChIKey of 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane?
The InChIKey is PRYAZSCEDSBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FO5/c1-5-20(14-24-13-16-8-6-7-9-17(16)21)12-18(19(2,3)26-20)25-15-23-11-10-22-4/h6-9,18H,5,10-15H2,1-4H3.
What are the key properties of 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane?
5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane has a molecular weight of 370.46 g/mol, XLogP of 3.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[(2-fluorophenyl)methoxymethyl]-3-(2-methoxyethoxymethoxy)-2,2-dimethyloxolane is sourced from PubChem (CID 57174631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).