(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one

C15H20O4 — CID 23640762

IUPAC(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one
SMILESCOC(C/C=C\C(=O)COCc1ccccc1)OC
InChIInChI=1S/C15H20O4/c1-17-15(18-2)10-6-9-14(16)12-19-11-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/b9-6-
InChIKeyXIUWTOIXOGOCCZ-TWGQIWQCSA-N
MW264.32 g/mol
LogP2.34
Rot. Bonds9

About (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one

(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one (PubChem CID 23640762) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one
PubChem CID23640762
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one
SMILESCOC(C/C=C\C(=O)COCc1ccccc1)OC
InChIInChI=1S/C15H20O4/c1-17-15(18-2)10-6-9-14(16)12-19-11-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/b9-6-
InChIKeyXIUWTOIXOGOCCZ-TWGQIWQCSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one?
The IUPAC name of (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one (CID 23640762) is (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one.
What is the SMILES notation for (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one?
The canonical SMILES for (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one is COC(C/C=C\C(=O)COCc1ccccc1)OC.
What is the InChIKey of (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one?
The InChIKey is XIUWTOIXOGOCCZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-15(18-2)10-6-9-14(16)12-19-11-13-7-4-3-5-8-13/h3-9,15H,10-12H2,1-2H3/b9-6-.
What are the key properties of (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one?
(Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-dimethoxy-1-phenylmethoxyhex-3-en-2-one is sourced from PubChem (CID 23640762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).