6-methyl-4-phenylcyclodec-5-en-1-one

C17H22O — CID 91670765

IUPAC6-methyl-4-phenylcyclodec-5-en-1-one
SMILESCC1=CC(c2ccccc2)CCC(=O)CCCC1
InChIInChI=1S/C17H22O/c1-14-7-5-6-10-17(18)12-11-16(13-14)15-8-3-2-4-9-15/h2-4,8-9,13,16H,5-7,10-12H2,1H3
InChIKeyOSUAMFCTZCJRDN-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.64
Rot. Bonds1

About 6-methyl-4-phenylcyclodec-5-en-1-one

6-methyl-4-phenylcyclodec-5-en-1-one (PubChem CID 91670765) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-methyl-4-phenylcyclodec-5-en-1-one.

Molecular Properties

Compound Name6-methyl-4-phenylcyclodec-5-en-1-one
PubChem CID91670765
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name6-methyl-4-phenylcyclodec-5-en-1-one
SMILESCC1=CC(c2ccccc2)CCC(=O)CCCC1
InChIInChI=1S/C17H22O/c1-14-7-5-6-10-17(18)12-11-16(13-14)15-8-3-2-4-9-15/h2-4,8-9,13,16H,5-7,10-12H2,1H3
InChIKeyOSUAMFCTZCJRDN-UHFFFAOYSA-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 6-methyl-4-phenylcyclodec-5-en-1-one?
The IUPAC name of 6-methyl-4-phenylcyclodec-5-en-1-one (CID 91670765) is 6-methyl-4-phenylcyclodec-5-en-1-one.
What is the SMILES notation for 6-methyl-4-phenylcyclodec-5-en-1-one?
The canonical SMILES for 6-methyl-4-phenylcyclodec-5-en-1-one is CC1=CC(c2ccccc2)CCC(=O)CCCC1.
What is the InChIKey of 6-methyl-4-phenylcyclodec-5-en-1-one?
The InChIKey is OSUAMFCTZCJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-14-7-5-6-10-17(18)12-11-16(13-14)15-8-3-2-4-9-15/h2-4,8-9,13,16H,5-7,10-12H2,1H3.
What are the key properties of 6-methyl-4-phenylcyclodec-5-en-1-one?
6-methyl-4-phenylcyclodec-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 6-methyl-4-phenylcyclodec-5-en-1-one is sourced from PubChem (CID 91670765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).