(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene

C15H22F2O — CID 145231743

IUPAC(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene
SMILESC=CC(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C15H22F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-11H,1,4-5,8-9H2,2-3,6H3/b15-14-
InChIKeyZDCJFZHHXKINLD-PFONDFGASA-N
MW256.34 g/mol
LogP5.09
Rot. Bonds8

About (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene

(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene (PubChem CID 145231743) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene
PubChem CID145231743
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene
SMILESC=CC(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C15H22F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-11H,1,4-5,8-9H2,2-3,6H3/b15-14-
InChIKeyZDCJFZHHXKINLD-PFONDFGASA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene?
The IUPAC name of (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene (CID 145231743) is (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene.
What is the SMILES notation for (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene?
The canonical SMILES for (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene is C=CC(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.
What is the InChIKey of (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene?
The InChIKey is ZDCJFZHHXKINLD-PFONDFGASA-N. The full InChI is InChI=1S/C15H22F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h7,10-11H,1,4-5,8-9H2,2-3,6H3/b15-14-.
What are the key properties of (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene?
(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene has a molecular weight of 256.34 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene is sourced from PubChem (CID 145231743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).