(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene

C17H27FO — CID 126711027

IUPAC(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C(C(=C)OCC(C)(F)CC)=C(/C=C\C)CC
InChIInChI=1S/C17H27FO/c1-8-11-15(9-2)16(13(4)5)14(6)19-12-17(7,18)10-3/h8,11H,4,6,9-10,12H2,1-3,5,7H3/b11-8-,16-15-
InChIKeyFTOVWJVVVZPRFE-IWJOUKIMSA-N
MW266.40 g/mol
LogP5.51
Rot. Bonds8

About (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene

(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene (PubChem CID 126711027) has the molecular formula C17H27FO and a molecular weight of 266.40 g/mol. Its IUPAC name is (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
PubChem CID126711027
Molecular FormulaC17H27FO
Molecular Weight266.40 g/mol
Exact Mass266.20
IUPAC Name(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(C)/C(C(=C)OCC(C)(F)CC)=C(/C=C\C)CC
InChIInChI=1S/C17H27FO/c1-8-11-15(9-2)16(13(4)5)14(6)19-12-17(7,18)10-3/h8,11H,4,6,9-10,12H2,1-3,5,7H3/b11-8-,16-15-
InChIKeyFTOVWJVVVZPRFE-IWJOUKIMSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.40
LogP ≤ 55.51
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 (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene (CID 126711027) is (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene is C=C(C)/C(C(=C)OCC(C)(F)CC)=C(/C=C\C)CC.
What is the InChIKey of (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene?
The InChIKey is FTOVWJVVVZPRFE-IWJOUKIMSA-N. The full InChI is InChI=1S/C17H27FO/c1-8-11-15(9-2)16(13(4)5)14(6)19-12-17(7,18)10-3/h8,11H,4,6,9-10,12H2,1-3,5,7H3/b11-8-,16-15-.
What are the key properties of (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene?
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene has a molecular weight of 266.40 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 126711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).