(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol

C17H25FO — CID 175614379

IUPAC(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol
SMILESC=C(O)C=CC(C)C(=C/C(=C)C)/C(CC)=C(/F)CC
InChIInChI=1S/C17H25FO/c1-7-15(17(18)8-2)16(11-12(3)4)13(5)9-10-14(6)19/h9-11,13,19H,3,6-8H2,1-2,4-5H3/b10-9?,16-11-,17-15+
InChIKeyLHUSRMFIIKZYHG-WDADKWRZSA-N
MW264.38 g/mol
LogP5.80
Rot. Bonds7

About (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol

(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol (PubChem CID 175614379) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol.

Molecular Properties

Compound Name(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol
PubChem CID175614379
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol
SMILESC=C(O)C=CC(C)C(=C/C(=C)C)/C(CC)=C(/F)CC
InChIInChI=1S/C17H25FO/c1-7-15(17(18)8-2)16(11-12(3)4)13(5)9-10-14(6)19/h9-11,13,19H,3,6-8H2,1-2,4-5H3/b10-9?,16-11-,17-15+
InChIKeyLHUSRMFIIKZYHG-WDADKWRZSA-N
XLogP5.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
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 (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol?
The IUPAC name of (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol (CID 175614379) is (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol.
What is the SMILES notation for (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol?
The canonical SMILES for (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol is C=C(O)C=CC(C)C(=C/C(=C)C)/C(CC)=C(/F)CC.
What is the InChIKey of (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol?
The InChIKey is LHUSRMFIIKZYHG-WDADKWRZSA-N. The full InChI is InChI=1S/C17H25FO/c1-7-15(17(18)8-2)16(11-12(3)4)13(5)9-10-14(6)19/h9-11,13,19H,3,6-8H2,1-2,4-5H3/b10-9?,16-11-,17-15+.
What are the key properties of (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol?
(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol has a molecular weight of 264.38 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol is sourced from PubChem (CID 175614379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).