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

C18H26O2 — CID 145101018

IUPAC1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone
SMILESCC(C)=CCC/C(C)=C/COCC(=O)C1=CCCC=C1
InChIInChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-14-18(19)17-10-5-4-6-11-17/h5,8,10-12H,4,6-7,9,13-14H2,1-3H3/b16-12+
InChIKeyAHWXBMVBHYNQIC-FOWTUZBSSA-N
MW274.40 g/mol
LogP4.54
Rot. Bonds8

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

1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone (PubChem CID 145101018) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone
PubChem CID145101018
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone
SMILESCC(C)=CCC/C(C)=C/COCC(=O)C1=CCCC=C1
InChIInChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-14-18(19)17-10-5-4-6-11-17/h5,8,10-12H,4,6-7,9,13-14H2,1-3H3/b16-12+
InChIKeyAHWXBMVBHYNQIC-FOWTUZBSSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]ethanone?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone (CID 145101018) is 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone is CC(C)=CCC/C(C)=C/COCC(=O)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone?
The InChIKey is AHWXBMVBHYNQIC-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-14-18(19)17-10-5-4-6-11-17/h5,8,10-12H,4,6-7,9,13-14H2,1-3H3/b16-12+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone?
1-cyclohexa-1,5-dien-1-yl-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.54, 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]ethanone is sourced from PubChem (CID 145101018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).