(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene

C17H28F2O — CID 174011601

IUPAC(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene
SMILESC/C=C(\C=C/C(CC(C)CC)=C(/C)CC)OCC(F)F
InChIInChI=1S/C17H28F2O/c1-6-13(4)11-15(14(5)7-2)9-10-16(8-3)20-12-17(18)19/h8-10,13,17H,6-7,11-12H2,1-5H3/b10-9-,15-14+,16-8+
InChIKeyLJXSTRUNCKVYNP-VKHMRIDVSA-N
MW286.41 g/mol
LogP5.89
Rot. Bonds9

About (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene

(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene (PubChem CID 174011601) has the molecular formula C17H28F2O and a molecular weight of 286.41 g/mol. Its IUPAC name is (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene.

Molecular Properties

Compound Name(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene
PubChem CID174011601
Molecular FormulaC17H28F2O
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene
SMILESC/C=C(\C=C/C(CC(C)CC)=C(/C)CC)OCC(F)F
InChIInChI=1S/C17H28F2O/c1-6-13(4)11-15(14(5)7-2)9-10-16(8-3)20-12-17(18)19/h8-10,13,17H,6-7,11-12H2,1-5H3/b10-9-,15-14+,16-8+
InChIKeyLJXSTRUNCKVYNP-VKHMRIDVSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.89
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,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene?
The IUPAC name of (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene (CID 174011601) is (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene.
What is the SMILES notation for (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene?
The canonical SMILES for (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene is C/C=C(\C=C/C(CC(C)CC)=C(/C)CC)OCC(F)F.
What is the InChIKey of (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene?
The InChIKey is LJXSTRUNCKVYNP-VKHMRIDVSA-N. The full InChI is InChI=1S/C17H28F2O/c1-6-13(4)11-15(14(5)7-2)9-10-16(8-3)20-12-17(18)19/h8-10,13,17H,6-7,11-12H2,1-5H3/b10-9-,15-14+,16-8+.
What are the key properties of (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene?
(2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene has a molecular weight of 286.41 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-6-butan-2-ylidene-3-(2,2-difluoroethoxy)-8-methyldeca-2,4-diene is sourced from PubChem (CID 174011601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).