(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol

C17H30FNO — CID 144704334

IUPAC(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol
SMILESCCCN(CCC)CC/C(C)=C(F)\C(=C/C=C/O)CC
InChIInChI=1S/C17H30FNO/c1-5-11-19(12-6-2)13-10-15(4)17(18)16(7-3)9-8-14-20/h8-9,14,20H,5-7,10-13H2,1-4H3/b14-8+,16-9-,17-15+
InChIKeyMLHLMPPHCCJJMM-OSDHNYNUSA-N
MW283.43 g/mol
LogP5.15
Rot. Bonds10

About (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol

(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol (PubChem CID 144704334) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol
PubChem CID144704334
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol
SMILESCCCN(CCC)CC/C(C)=C(F)\C(=C/C=C/O)CC
InChIInChI=1S/C17H30FNO/c1-5-11-19(12-6-2)13-10-15(4)17(18)16(7-3)9-8-14-20/h8-9,14,20H,5-7,10-13H2,1-4H3/b14-8+,16-9-,17-15+
InChIKeyMLHLMPPHCCJJMM-OSDHNYNUSA-N
XLogP5.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol?
The IUPAC name of (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol (CID 144704334) is (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol is CCCN(CCC)CC/C(C)=C(F)\C(=C/C=C/O)CC.
What is the InChIKey of (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol?
The InChIKey is MLHLMPPHCCJJMM-OSDHNYNUSA-N. The full InChI is InChI=1S/C17H30FNO/c1-5-11-19(12-6-2)13-10-15(4)17(18)16(7-3)9-8-14-20/h8-9,14,20H,5-7,10-13H2,1-4H3/b14-8+,16-9-,17-15+.
What are the key properties of (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol?
(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol has a molecular weight of 283.43 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol is sourced from PubChem (CID 144704334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).