(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene

C16H20F2O — CID 143908884

IUPAC(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OCCCC
InChIInChI=1S/C16H20F2O/c1-6-8-11-19-13(4)10-9-12(3)14(5)16(18)15(17)7-2/h7,9-10H,2-6,8,11H2,1H3/b10-9-,16-15-
InChIKeyXAUNWSVZDZURFK-GJWNNSPJSA-N
MW266.33 g/mol
LogP5.32
Rot. Bonds9

About (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene

(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 143908884) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID143908884
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OCCCC
InChIInChI=1S/C16H20F2O/c1-6-8-11-19-13(4)10-9-12(3)14(5)16(18)15(17)7-2/h7,9-10H,2-6,8,11H2,1H3/b10-9-,16-15-
InChIKeyXAUNWSVZDZURFK-GJWNNSPJSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 143908884) is (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene is C=C/C(F)=C(/F)C(=C)C(=C)/C=C\C(=C)OCCCC.
What is the InChIKey of (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is XAUNWSVZDZURFK-GJWNNSPJSA-N. The full InChI is InChI=1S/C16H20F2O/c1-6-8-11-19-13(4)10-9-12(3)14(5)16(18)15(17)7-2/h7,9-10H,2-6,8,11H2,1H3/b10-9-,16-15-.
What are the key properties of (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene?
(3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 266.33 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-butoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 143908884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).