(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one

C18H27FO2 — CID 143024683

IUPAC(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one
SMILESC=C/C(=C(\C=C/C(C)F)OC)C(C)(C)CC(=O)C1CCC1
InChIInChI=1S/C18H27FO2/c1-6-15(17(21-5)11-10-13(2)19)18(3,4)12-16(20)14-8-7-9-14/h6,10-11,13-14H,1,7-9,12H2,2-5H3/b11-10-,17-15-
InChIKeyFNVWINRSJHQCPA-GXOAGJTDSA-N
MW294.41 g/mol
LogP4.77
Rot. Bonds8

About (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one

(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one (PubChem CID 143024683) has the molecular formula C18H27FO2 and a molecular weight of 294.41 g/mol. Its IUPAC name is (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one.

Molecular Properties

Compound Name(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one
PubChem CID143024683
Molecular FormulaC18H27FO2
Molecular Weight294.41 g/mol
Exact Mass294.20
IUPAC Name(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one
SMILESC=C/C(=C(\C=C/C(C)F)OC)C(C)(C)CC(=O)C1CCC1
InChIInChI=1S/C18H27FO2/c1-6-15(17(21-5)11-10-13(2)19)18(3,4)12-16(20)14-8-7-9-14/h6,10-11,13-14H,1,7-9,12H2,2-5H3/b11-10-,17-15-
InChIKeyFNVWINRSJHQCPA-GXOAGJTDSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
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 (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one?
The IUPAC name of (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one (CID 143024683) is (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one.
What is the SMILES notation for (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one?
The canonical SMILES for (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one is C=C/C(=C(\C=C/C(C)F)OC)C(C)(C)CC(=O)C1CCC1.
What is the InChIKey of (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one?
The InChIKey is FNVWINRSJHQCPA-GXOAGJTDSA-N. The full InChI is InChI=1S/C18H27FO2/c1-6-15(17(21-5)11-10-13(2)19)18(3,4)12-16(20)14-8-7-9-14/h6,10-11,13-14H,1,7-9,12H2,2-5H3/b11-10-,17-15-.
What are the key properties of (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one?
(4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one has a molecular weight of 294.41 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-1-cyclobutyl-4-ethenyl-8-fluoro-5-methoxy-3,3-dimethylnona-4,6-dien-1-one is sourced from PubChem (CID 143024683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).