(5E)-4-phenylcycloundec-5-en-1-one

C17H22O — CID 56652169

IUPAC(5E)-4-phenylcycloundec-5-en-1-one
SMILESO=C1CCCCC/C=C/C(c2ccccc2)CC1
InChIInChI=1S/C17H22O/c18-17-12-8-3-1-2-5-11-16(13-14-17)15-9-6-4-7-10-15/h4-7,9-11,16H,1-3,8,12-14H2/b11-5+
InChIKeyVTIFPEPAFRJOIO-VZUCSPMQSA-N
MW242.36 g/mol
LogP4.64
Rot. Bonds1

About (5E)-4-phenylcycloundec-5-en-1-one

(5E)-4-phenylcycloundec-5-en-1-one (PubChem CID 56652169) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (5E)-4-phenylcycloundec-5-en-1-one.

Molecular Properties

Compound Name(5E)-4-phenylcycloundec-5-en-1-one
PubChem CID56652169
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(5E)-4-phenylcycloundec-5-en-1-one
SMILESO=C1CCCCC/C=C/C(c2ccccc2)CC1
InChIInChI=1S/C17H22O/c18-17-12-8-3-1-2-5-11-16(13-14-17)15-9-6-4-7-10-15/h4-7,9-11,16H,1-3,8,12-14H2/b11-5+
InChIKeyVTIFPEPAFRJOIO-VZUCSPMQSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5E)-4-phenylcycloundec-5-en-1-one?
The IUPAC name of (5E)-4-phenylcycloundec-5-en-1-one (CID 56652169) is (5E)-4-phenylcycloundec-5-en-1-one.
What is the SMILES notation for (5E)-4-phenylcycloundec-5-en-1-one?
The canonical SMILES for (5E)-4-phenylcycloundec-5-en-1-one is O=C1CCCCC/C=C/C(c2ccccc2)CC1.
What is the InChIKey of (5E)-4-phenylcycloundec-5-en-1-one?
The InChIKey is VTIFPEPAFRJOIO-VZUCSPMQSA-N. The full InChI is InChI=1S/C17H22O/c18-17-12-8-3-1-2-5-11-16(13-14-17)15-9-6-4-7-10-15/h4-7,9-11,16H,1-3,8,12-14H2/b11-5+.
What are the key properties of (5E)-4-phenylcycloundec-5-en-1-one?
(5E)-4-phenylcycloundec-5-en-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-phenylcycloundec-5-en-1-one is sourced from PubChem (CID 56652169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).