4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

C12H23FO2 — CID 176894830

IUPAC4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(F)(COC(C)C)COC(C)C
InChIInChI=1S/C12H23FO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyREFMOTPXLDQZGK-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.12
Rot. Bonds8

About 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene

4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (PubChem CID 176894830) has the molecular formula C12H23FO2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
PubChem CID176894830
Molecular FormulaC12H23FO2
Molecular Weight218.31 g/mol
Exact Mass218.17
IUPAC Name4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
SMILESC=CCC(F)(COC(C)C)COC(C)C
InChIInChI=1S/C12H23FO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3
InChIKeyREFMOTPXLDQZGK-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The IUPAC name of 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene (CID 176894830) is 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene.
What is the SMILES notation for 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The canonical SMILES for 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is C=CCC(F)(COC(C)C)COC(C)C.
What is the InChIKey of 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
The InChIKey is REFMOTPXLDQZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2/c1-6-7-12(13,8-14-10(2)3)9-15-11(4)5/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene?
4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene has a molecular weight of 218.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene is sourced from PubChem (CID 176894830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).