1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one

C19H28O2 — CID 145101020

IUPAC1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one
SMILESCC(C)=CCC/C(C)=C/COC(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C19H28O2/c1-15(2)9-8-10-16(3)13-14-21-17(4)19(20)18-11-6-5-7-12-18/h6,9,11-13,17H,5,7-8,10,14H2,1-4H3/b16-13+
InChIKeyUXHDFXNEDWBDBD-DTQAZKPQSA-N
MW288.43 g/mol
LogP4.93
Rot. Bonds8

About 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one

1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one (PubChem CID 145101020) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one
PubChem CID145101020
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one
SMILESCC(C)=CCC/C(C)=C/COC(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C19H28O2/c1-15(2)9-8-10-16(3)13-14-21-17(4)19(20)18-11-6-5-7-12-18/h6,9,11-13,17H,5,7-8,10,14H2,1-4H3/b16-13+
InChIKeyUXHDFXNEDWBDBD-DTQAZKPQSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one (CID 145101020) is 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one is CC(C)=CCC/C(C)=C/COC(C)C(=O)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one?
The InChIKey is UXHDFXNEDWBDBD-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H28O2/c1-15(2)9-8-10-16(3)13-14-21-17(4)19(20)18-11-6-5-7-12-18/h6,9,11-13,17H,5,7-8,10,14H2,1-4H3/b16-13+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one?
1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-1-one is sourced from PubChem (CID 145101020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).