5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one

C17H24O2 — CID 15098295

IUPAC5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one
SMILESC/C(=C\C=C/C1CCCCC1)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C17H24O2/c1-13(15-12-16(18)17(2,3)19-15)8-7-11-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10H2,1-3H3/b11-7-,13-8+
InChIKeyWEAORZFJJTWDJL-JKNYEHFOSA-N
MW260.38 g/mol
LogP4.33
Rot. Bonds3

About 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one

5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one (PubChem CID 15098295) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one
PubChem CID15098295
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one
SMILESC/C(=C\C=C/C1CCCCC1)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C17H24O2/c1-13(15-12-16(18)17(2,3)19-15)8-7-11-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10H2,1-3H3/b11-7-,13-8+
InChIKeyWEAORZFJJTWDJL-JKNYEHFOSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one?
The IUPAC name of 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one (CID 15098295) is 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one is C/C(=C\C=C/C1CCCCC1)C1=CC(=O)C(C)(C)O1.
What is the InChIKey of 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one?
The InChIKey is WEAORZFJJTWDJL-JKNYEHFOSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(15-12-16(18)17(2,3)19-15)8-7-11-14-9-5-4-6-10-14/h7-8,11-12,14H,4-6,9-10H2,1-3H3/b11-7-,13-8+.
What are the key properties of 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one?
5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one has a molecular weight of 260.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-5-cyclohexylpenta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one is sourced from PubChem (CID 15098295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).