(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one

C15H27FO2 — CID 167209617

IUPAC(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one
SMILESCCC(CC(C)F)C(=O)/C=C(\OC)C(CC)CC
InChIInChI=1S/C15H27FO2/c1-6-12(7-2)15(18-5)10-14(17)13(8-3)9-11(4)16/h10-13H,6-9H2,1-5H3/b15-10-
InChIKeyAQMIBVCRUDGEPB-GDNBJRDFSA-N
MW258.38 g/mol
LogP4.30
Rot. Bonds9

About (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one

(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one (PubChem CID 167209617) has the molecular formula C15H27FO2 and a molecular weight of 258.38 g/mol. Its IUPAC name is (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one.

Molecular Properties

Compound Name(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one
PubChem CID167209617
Molecular FormulaC15H27FO2
Molecular Weight258.38 g/mol
Exact Mass258.20
IUPAC Name(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one
SMILESCCC(CC(C)F)C(=O)/C=C(\OC)C(CC)CC
InChIInChI=1S/C15H27FO2/c1-6-12(7-2)15(18-5)10-14(17)13(8-3)9-11(4)16/h10-13H,6-9H2,1-5H3/b15-10-
InChIKeyAQMIBVCRUDGEPB-GDNBJRDFSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one?
The IUPAC name of (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one (CID 167209617) is (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one.
What is the SMILES notation for (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one?
The canonical SMILES for (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one is CCC(CC(C)F)C(=O)/C=C(\OC)C(CC)CC.
What is the InChIKey of (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one?
The InChIKey is AQMIBVCRUDGEPB-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H27FO2/c1-6-12(7-2)15(18-5)10-14(17)13(8-3)9-11(4)16/h10-13H,6-9H2,1-5H3/b15-10-.
What are the key properties of (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one?
(Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one has a molecular weight of 258.38 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,8-diethyl-2-fluoro-7-methoxydec-6-en-5-one is sourced from PubChem (CID 167209617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).