5-methyl-6-naphthalen-1-ylhex-4-en-2-one

C17H18O — CID 90716108

IUPAC5-methyl-6-naphthalen-1-ylhex-4-en-2-one
SMILESCC(=O)CC=C(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H18O/c1-13(10-11-14(2)18)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3
InChIKeyXRTOWJHDKQFLLB-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.31
Rot. Bonds4

About 5-methyl-6-naphthalen-1-ylhex-4-en-2-one

5-methyl-6-naphthalen-1-ylhex-4-en-2-one (PubChem CID 90716108) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-methyl-6-naphthalen-1-ylhex-4-en-2-one.

Molecular Properties

Compound Name5-methyl-6-naphthalen-1-ylhex-4-en-2-one
PubChem CID90716108
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name5-methyl-6-naphthalen-1-ylhex-4-en-2-one
SMILESCC(=O)CC=C(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H18O/c1-13(10-11-14(2)18)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3
InChIKeyXRTOWJHDKQFLLB-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-ylbutan-2-one
CID 4564544
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
2-methyl-4-naphthalen-1-ylbut-2-enamide
CID 67637200
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-naphthalen-1-ylhex-4-en-2-one?
The IUPAC name of 5-methyl-6-naphthalen-1-ylhex-4-en-2-one (CID 90716108) is 5-methyl-6-naphthalen-1-ylhex-4-en-2-one.
What is the SMILES notation for 5-methyl-6-naphthalen-1-ylhex-4-en-2-one?
The canonical SMILES for 5-methyl-6-naphthalen-1-ylhex-4-en-2-one is CC(=O)CC=C(C)Cc1cccc2ccccc12.
What is the InChIKey of 5-methyl-6-naphthalen-1-ylhex-4-en-2-one?
The InChIKey is XRTOWJHDKQFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13(10-11-14(2)18)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-methyl-6-naphthalen-1-ylhex-4-en-2-one?
5-methyl-6-naphthalen-1-ylhex-4-en-2-one has a molecular weight of 238.33 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-naphthalen-1-ylhex-4-en-2-one is sourced from PubChem (CID 90716108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).