2-methyl-1-naphthalen-1-yldecan-1-one

C21H28O — CID 90112033

IUPAC2-methyl-1-naphthalen-1-yldecan-1-one
SMILESCCCCCCCCC(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H28O/c1-3-4-5-6-7-8-12-17(2)21(22)20-16-11-14-18-13-9-10-15-19(18)20/h9-11,13-17H,3-8,12H2,1-2H3
InChIKeyULJGJUCMBZWAIE-UHFFFAOYSA-N
MW296.45 g/mol
LogP6.41
Rot. Bonds9

About 2-methyl-1-naphthalen-1-yldecan-1-one

2-methyl-1-naphthalen-1-yldecan-1-one (PubChem CID 90112033) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-methyl-1-naphthalen-1-yldecan-1-one.

Molecular Properties

Compound Name2-methyl-1-naphthalen-1-yldecan-1-one
PubChem CID90112033
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name2-methyl-1-naphthalen-1-yldecan-1-one
SMILESCCCCCCCCC(C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H28O/c1-3-4-5-6-7-8-12-17(2)21(22)20-16-11-14-18-13-9-10-15-19(18)20/h9-11,13-17H,3-8,12H2,1-2H3
InChIKeyULJGJUCMBZWAIE-UHFFFAOYSA-N
XLogP6.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 56.41
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

octan-2-yl naphthalene-1-carboxylate
CID 152706157
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
1-naphthalen-1-yldodecan-1-one
CID 3424169
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
CID 67779214
CID 87547909
CID 87547909
N-dodecylnaphthalene-1-carboxamide
CID 4278758
tris(naphthalene-1-carboxylate);octyltin(3+)
CID 159919940
trioctylstannyl naphthalene-1-carboxylate
CID 140558315
2-naphthalen-1-yldodecanoic acid
CID 23333439
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
5-naphthalen-1-ylheptadecan-2-one
CID 142778100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-naphthalen-1-yldecan-1-one?
The IUPAC name of 2-methyl-1-naphthalen-1-yldecan-1-one (CID 90112033) is 2-methyl-1-naphthalen-1-yldecan-1-one.
What is the SMILES notation for 2-methyl-1-naphthalen-1-yldecan-1-one?
The canonical SMILES for 2-methyl-1-naphthalen-1-yldecan-1-one is CCCCCCCCC(C)C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-naphthalen-1-yldecan-1-one?
The InChIKey is ULJGJUCMBZWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-3-4-5-6-7-8-12-17(2)21(22)20-16-11-14-18-13-9-10-15-19(18)20/h9-11,13-17H,3-8,12H2,1-2H3.
What are the key properties of 2-methyl-1-naphthalen-1-yldecan-1-one?
2-methyl-1-naphthalen-1-yldecan-1-one has a molecular weight of 296.45 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-naphthalen-1-yldecan-1-one is sourced from PubChem (CID 90112033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).