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

C15H22F2O — CID 145144131

IUPAC(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene
SMILESC=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC
InChIInChI=1S/C15H22F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h9-10H,4-5,7-8H2,1-3,6H3/b11-9+,15-14-
InChIKeyOWPIQCBFSUYIQK-VDRCGHCRSA-N
MW256.34 g/mol
LogP5.24
Rot. Bonds7

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

(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene (PubChem CID 145144131) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene.

Molecular Properties

Compound Name(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene
PubChem CID145144131
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene
SMILESC=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC
InChIInChI=1S/C15H22F2O/c1-7-10(2)8-9-11(3)12(4)14(16)15(17)13(5)18-6/h9-10H,4-5,7-8H2,1-3,6H3/b11-9+,15-14-
InChIKeyOWPIQCBFSUYIQK-VDRCGHCRSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.24
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,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene?
The IUPAC name of (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene (CID 145144131) is (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene.
What is the SMILES notation for (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene?
The canonical SMILES for (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene is C=C(OC)/C(F)=C(\F)C(=C)/C(C)=C/CC(C)CC.
What is the InChIKey of (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene?
The InChIKey is OWPIQCBFSUYIQK-VDRCGHCRSA-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/h9-10H,4-5,7-8H2,1-3,6H3/b11-9+,15-14-.
What are the key properties of (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene?
(3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene has a molecular weight of 256.34 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,6-triene is sourced from PubChem (CID 145144131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).