1-naphthalen-1-yldodecan-1-one

C22H30O — CID 3424169

IUPAC1-naphthalen-1-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-18-22(23)21-17-13-15-19-14-11-12-16-20(19)21/h11-17H,2-10,18H2,1H3
InChIKeyYBVRNZTWGYQFKN-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.94
Rot. Bonds11

About 1-naphthalen-1-yldodecan-1-one

1-naphthalen-1-yldodecan-1-one (PubChem CID 3424169) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-naphthalen-1-yldodecan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yldodecan-1-one
PubChem CID3424169
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-naphthalen-1-yldodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-18-22(23)21-17-13-15-19-14-11-12-16-20(19)21/h11-17H,2-10,18H2,1H3
InChIKeyYBVRNZTWGYQFKN-UHFFFAOYSA-N
XLogP6.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-hydroxy-3-octanoylphenyl)octan-1-one
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CID 87547909
CID 87547909
1-(9H-carbazol-1-yl)heptan-1-one
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4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)nonan-1-one
CID 63409672
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
1-anthracen-9-ylhexadecan-1-one
CID 134887627
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yldodecan-1-one?
The IUPAC name of 1-naphthalen-1-yldodecan-1-one (CID 3424169) is 1-naphthalen-1-yldodecan-1-one.
What is the SMILES notation for 1-naphthalen-1-yldodecan-1-one?
The canonical SMILES for 1-naphthalen-1-yldodecan-1-one is CCCCCCCCCCCC(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yldodecan-1-one?
The InChIKey is YBVRNZTWGYQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-18-22(23)21-17-13-15-19-14-11-12-16-20(19)21/h11-17H,2-10,18H2,1H3.
What are the key properties of 1-naphthalen-1-yldodecan-1-one?
1-naphthalen-1-yldodecan-1-one has a molecular weight of 310.48 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yldodecan-1-one is sourced from PubChem (CID 3424169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).