(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene

C19H33FO — CID 142283024

IUPAC(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene
SMILESC=C/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)OC
InChIInChI=1S/C19H33FO/c1-8-9-19(20)18(6)16(4)11-10-14(2)15(3)12-13-17(5)21-7/h8-9,14-17H,1,6,10-13H2,2-5,7H3/b19-9+
InChIKeyUARYDTPDWULTLJ-DJKKODMXSA-N
MW296.47 g/mol
LogP6.09
Rot. Bonds11

About (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene

(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene (PubChem CID 142283024) has the molecular formula C19H33FO and a molecular weight of 296.47 g/mol. Its IUPAC name is (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene.

Molecular Properties

Compound Name(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene
PubChem CID142283024
Molecular FormulaC19H33FO
Molecular Weight296.47 g/mol
Exact Mass296.25
IUPAC Name(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene
SMILESC=C/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)OC
InChIInChI=1S/C19H33FO/c1-8-9-19(20)18(6)16(4)11-10-14(2)15(3)12-13-17(5)21-7/h8-9,14-17H,1,6,10-13H2,2-5,7H3/b19-9+
InChIKeyUARYDTPDWULTLJ-DJKKODMXSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene?
The IUPAC name of (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene (CID 142283024) is (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene.
What is the SMILES notation for (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene?
The canonical SMILES for (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene is C=C/C=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)OC.
What is the InChIKey of (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene?
The InChIKey is UARYDTPDWULTLJ-DJKKODMXSA-N. The full InChI is InChI=1S/C19H33FO/c1-8-9-19(20)18(6)16(4)11-10-14(2)15(3)12-13-17(5)21-7/h8-9,14-17H,1,6,10-13H2,2-5,7H3/b19-9+.
What are the key properties of (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene?
(3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene has a molecular weight of 296.47 g/mol, XLogP of 6.09, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-13-methoxy-6,9,10-trimethyl-5-methylidenetetradeca-1,3-diene is sourced from PubChem (CID 142283024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).