6-methylidene-3-phenyloctan-4-one

C15H20O — CID 115781087

IUPAC6-methylidene-3-phenyloctan-4-one
SMILESC=C(CC)CC(=O)C(CC)c1ccccc1
InChIInChI=1S/C15H20O/c1-4-12(3)11-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3
InChIKeyHXNRFXDDNCEKBB-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.11
Rot. Bonds6

About 6-methylidene-3-phenyloctan-4-one

6-methylidene-3-phenyloctan-4-one (PubChem CID 115781087) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-methylidene-3-phenyloctan-4-one.

Molecular Properties

Compound Name6-methylidene-3-phenyloctan-4-one
PubChem CID115781087
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-methylidene-3-phenyloctan-4-one
SMILESC=C(CC)CC(=O)C(CC)c1ccccc1
InChIInChI=1S/C15H20O/c1-4-12(3)11-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3
InChIKeyHXNRFXDDNCEKBB-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.11
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-methylidene-3-phenyloctan-4-one?
The IUPAC name of 6-methylidene-3-phenyloctan-4-one (CID 115781087) is 6-methylidene-3-phenyloctan-4-one.
What is the SMILES notation for 6-methylidene-3-phenyloctan-4-one?
The canonical SMILES for 6-methylidene-3-phenyloctan-4-one is C=C(CC)CC(=O)C(CC)c1ccccc1.
What is the InChIKey of 6-methylidene-3-phenyloctan-4-one?
The InChIKey is HXNRFXDDNCEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-12(3)11-15(16)14(5-2)13-9-7-6-8-10-13/h6-10,14H,3-5,11H2,1-2H3.
What are the key properties of 6-methylidene-3-phenyloctan-4-one?
6-methylidene-3-phenyloctan-4-one has a molecular weight of 216.32 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-phenyloctan-4-one is sourced from PubChem (CID 115781087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).