2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane

C14H21FO2 — CID 176700644

IUPAC2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane
SMILESC=C(F)/C=C(/OCC1CCCO1)C(=C)C(C)C
InChIInChI=1S/C14H21FO2/c1-10(2)12(4)14(8-11(3)15)17-9-13-6-5-7-16-13/h8,10,13H,3-7,9H2,1-2H3/b14-8+
InChIKeyOIAAKYSJTQMUCE-RIYZIHGNSA-N
MW240.32 g/mol
LogP3.76
Rot. Bonds6

About 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane

2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane (PubChem CID 176700644) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane.

Molecular Properties

Compound Name2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane
PubChem CID176700644
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane
SMILESC=C(F)/C=C(/OCC1CCCO1)C(=C)C(C)C
InChIInChI=1S/C14H21FO2/c1-10(2)12(4)14(8-11(3)15)17-9-13-6-5-7-16-13/h8,10,13H,3-7,9H2,1-2H3/b14-8+
InChIKeyOIAAKYSJTQMUCE-RIYZIHGNSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane?
The IUPAC name of 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane (CID 176700644) is 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane.
What is the SMILES notation for 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane?
The canonical SMILES for 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane is C=C(F)/C=C(/OCC1CCCO1)C(=C)C(C)C.
What is the InChIKey of 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane?
The InChIKey is OIAAKYSJTQMUCE-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H21FO2/c1-10(2)12(4)14(8-11(3)15)17-9-13-6-5-7-16-13/h8,10,13H,3-7,9H2,1-2H3/b14-8+.
What are the key properties of 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane?
2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane has a molecular weight of 240.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]oxolane is sourced from PubChem (CID 176700644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).