(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal

C15H22F2O2 — CID 143908826

IUPAC(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C=O
InChIInChI=1S/C15H22F2O2/c1-6-19-13(5)15(17)14(16)12(4)11(3)8-7-10(2)9-18/h9-11H,4-8H2,1-3H3/b15-14-
InChIKeyHUJKFYDZPVSCJN-PFONDFGASA-N
MW272.33 g/mol
LogP4.49
Rot. Bonds9

About (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal

(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal (PubChem CID 143908826) has the molecular formula C15H22F2O2 and a molecular weight of 272.33 g/mol. Its IUPAC name is (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal.

Molecular Properties

Compound Name(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal
PubChem CID143908826
Molecular FormulaC15H22F2O2
Molecular Weight272.33 g/mol
Exact Mass272.16
IUPAC Name(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C=O
InChIInChI=1S/C15H22F2O2/c1-6-19-13(5)15(17)14(16)12(4)11(3)8-7-10(2)9-18/h9-11H,4-8H2,1-3H3/b15-14-
InChIKeyHUJKFYDZPVSCJN-PFONDFGASA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal?
The IUPAC name of (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal (CID 143908826) is (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal.
What is the SMILES notation for (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal?
The canonical SMILES for (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal is C=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C=O.
What is the InChIKey of (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal?
The InChIKey is HUJKFYDZPVSCJN-PFONDFGASA-N. The full InChI is InChI=1S/C15H22F2O2/c1-6-19-13(5)15(17)14(16)12(4)11(3)8-7-10(2)9-18/h9-11H,4-8H2,1-3H3/b15-14-.
What are the key properties of (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal?
(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal has a molecular weight of 272.33 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienal is sourced from PubChem (CID 143908826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).