(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene

C20H33FO — CID 145158801

IUPAC(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene
SMILESC=C(OC)/C(F)=C/C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C20H33FO/c1-14(2)9-10-15(3)16(4)11-12-17(5)18(6)13-20(21)19(7)22-8/h12-16H,6-7,9-11H2,1-5,8H3/b17-12+,20-13+
InChIKeyUHJVVNLDMYMQHD-BHYNAFRYSA-N
MW308.48 g/mol
LogP6.60
Rot. Bonds10

About (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene

(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene (PubChem CID 145158801) has the molecular formula C20H33FO and a molecular weight of 308.48 g/mol. Its IUPAC name is (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene.

Molecular Properties

Compound Name(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene
PubChem CID145158801
Molecular FormulaC20H33FO
Molecular Weight308.48 g/mol
Exact Mass308.25
IUPAC Name(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene
SMILESC=C(OC)/C(F)=C/C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C20H33FO/c1-14(2)9-10-15(3)16(4)11-12-17(5)18(6)13-20(21)19(7)22-8/h12-16H,6-7,9-11H2,1-5,8H3/b17-12+,20-13+
InChIKeyUHJVVNLDMYMQHD-BHYNAFRYSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 56.60
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 (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene?
The IUPAC name of (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene (CID 145158801) is (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene.
What is the SMILES notation for (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene?
The canonical SMILES for (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene is C=C(OC)/C(F)=C/C(=C)/C(C)=C/CC(C)C(C)CCC(C)C.
What is the InChIKey of (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene?
The InChIKey is UHJVVNLDMYMQHD-BHYNAFRYSA-N. The full InChI is InChI=1S/C20H33FO/c1-14(2)9-10-15(3)16(4)11-12-17(5)18(6)13-20(21)19(7)22-8/h12-16H,6-7,9-11H2,1-5,8H3/b17-12+,20-13+.
What are the key properties of (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene?
(3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene has a molecular weight of 308.48 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3-fluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3,6-triene is sourced from PubChem (CID 145158801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).