(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene

C15H27FO — CID 88998018

IUPAC(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
SMILESC/C=C(\C=C/C(C)C(C)C)OC[C@](C)(F)CC
InChIInChI=1S/C15H27FO/c1-7-14(10-9-13(5)12(3)4)17-11-15(6,16)8-2/h7,9-10,12-13H,8,11H2,1-6H3/b10-9-,14-7+/t13?,15-/m1/s1
InChIKeyKXPDZGJMPUBABE-YEFVBRAMSA-N
MW242.38 g/mol
LogP4.89
Rot. Bonds7

About (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene

(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene (PubChem CID 88998018) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
PubChem CID88998018
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
SMILESC/C=C(\C=C/C(C)C(C)C)OC[C@](C)(F)CC
InChIInChI=1S/C15H27FO/c1-7-14(10-9-13(5)12(3)4)17-11-15(6,16)8-2/h7,9-10,12-13H,8,11H2,1-6H3/b10-9-,14-7+/t13?,15-/m1/s1
InChIKeyKXPDZGJMPUBABE-YEFVBRAMSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene?
The IUPAC name of (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene (CID 88998018) is (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene is C/C=C(\C=C/C(C)C(C)C)OC[C@](C)(F)CC.
What is the InChIKey of (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene?
The InChIKey is KXPDZGJMPUBABE-YEFVBRAMSA-N. The full InChI is InChI=1S/C15H27FO/c1-7-14(10-9-13(5)12(3)4)17-11-15(6,16)8-2/h7,9-10,12-13H,8,11H2,1-6H3/b10-9-,14-7+/t13?,15-/m1/s1.
What are the key properties of (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene?
(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene has a molecular weight of 242.38 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene is sourced from PubChem (CID 88998018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).