2-decyl-1-methylnaphthalene

C21H30 — CID 154261310

IUPAC2-decyl-1-methylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1C
InChIInChI=1S/C21H30/c1-3-4-5-6-7-8-9-10-13-19-16-17-20-14-11-12-15-21(20)18(19)2/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyAFOWDIITSMRVLZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.83
Rot. Bonds9

About 2-decyl-1-methylnaphthalene

2-decyl-1-methylnaphthalene (PubChem CID 154261310) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-decyl-1-methylnaphthalene.

Molecular Properties

Compound Name2-decyl-1-methylnaphthalene
PubChem CID154261310
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name2-decyl-1-methylnaphthalene
SMILESCCCCCCCCCCc1ccc2ccccc2c1C
InChIInChI=1S/C21H30/c1-3-4-5-6-7-8-9-10-13-19-16-17-20-14-11-12-15-21(20)18(19)2/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyAFOWDIITSMRVLZ-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
2-hexadecylnaphthalen-1-amine
CID 57354886
2-undecylnaphthalen-1-ol
CID 139729579
2-hexyl-1-propylnaphthalene
CID 173300538
1-tetradecylnaphthalene
CID 14402128
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
2-pentyl-1-propylnaphthalene
CID 173391876
1-ethyl-2-pentylnaphthalene
CID 173391903
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-methylnaphthalene?
The IUPAC name of 2-decyl-1-methylnaphthalene (CID 154261310) is 2-decyl-1-methylnaphthalene.
What is the SMILES notation for 2-decyl-1-methylnaphthalene?
The canonical SMILES for 2-decyl-1-methylnaphthalene is CCCCCCCCCCc1ccc2ccccc2c1C.
What is the InChIKey of 2-decyl-1-methylnaphthalene?
The InChIKey is AFOWDIITSMRVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-3-4-5-6-7-8-9-10-13-19-16-17-20-14-11-12-15-21(20)18(19)2/h11-12,14-17H,3-10,13H2,1-2H3.
What are the key properties of 2-decyl-1-methylnaphthalene?
2-decyl-1-methylnaphthalene has a molecular weight of 282.47 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-methylnaphthalene is sourced from PubChem (CID 154261310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).