2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane

C30H61FO2 — CID 139725325

IUPAC2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)(COCCCCCCCCCCF)OCC
InChIInChI=1S/C30H61FO2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-26-30(3,33-5-2)29-32-28-25-22-19-16-15-18-21-24-27-31/h4-29H2,1-3H3
InChIKeyWXTWYPPQQYJYKQ-UHFFFAOYSA-N
MW472.81 g/mol
LogP10.37
Rot. Bonds28

About 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane

2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane (PubChem CID 139725325) has the molecular formula C30H61FO2 and a molecular weight of 472.81 g/mol. Its IUPAC name is 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane.

Molecular Properties

Compound Name2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane
PubChem CID139725325
Molecular FormulaC30H61FO2
Molecular Weight472.81 g/mol
Exact Mass472.47
IUPAC Name2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)(COCCCCCCCCCCF)OCC
InChIInChI=1S/C30H61FO2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-26-30(3,33-5-2)29-32-28-25-22-19-16-15-18-21-24-27-31/h4-29H2,1-3H3
InChIKeyWXTWYPPQQYJYKQ-UHFFFAOYSA-N
XLogP10.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane?
The IUPAC name of 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane (CID 139725325) is 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane.
What is the SMILES notation for 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane?
The canonical SMILES for 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane is CCCCCCCCCCCCCCCC(C)(COCCCCCCCCCCF)OCC.
What is the InChIKey of 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane?
The InChIKey is WXTWYPPQQYJYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61FO2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-26-30(3,33-5-2)29-32-28-25-22-19-16-15-18-21-24-27-31/h4-29H2,1-3H3.
What are the key properties of 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane?
2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane has a molecular weight of 472.81 g/mol, XLogP of 10.37, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(10-fluorodecoxy)-2-methylheptadecane is sourced from PubChem (CID 139725325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).