1-(1,1-dichloro-2-methyldecyl)naphthalene

C21H28Cl2 — CID 151559313

IUPAC1-(1,1-dichloro-2-methyldecyl)naphthalene
SMILESCCCCCCCCC(C)C(Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C21H28Cl2/c1-3-4-5-6-7-8-12-17(2)21(22,23)20-16-11-14-18-13-9-10-15-19(18)20/h9-11,13-17H,3-8,12H2,1-2H3
InChIKeyQCDGMIAKGLCXRB-UHFFFAOYSA-N
MW351.36 g/mol
LogP7.86
Rot. Bonds9

About 1-(1,1-dichloro-2-methyldecyl)naphthalene

1-(1,1-dichloro-2-methyldecyl)naphthalene (PubChem CID 151559313) has the molecular formula C21H28Cl2 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(1,1-dichloro-2-methyldecyl)naphthalene.

Molecular Properties

Compound Name1-(1,1-dichloro-2-methyldecyl)naphthalene
PubChem CID151559313
Molecular FormulaC21H28Cl2
Molecular Weight351.36 g/mol
Exact Mass350.16
IUPAC Name1-(1,1-dichloro-2-methyldecyl)naphthalene
SMILESCCCCCCCCC(C)C(Cl)(Cl)c1cccc2ccccc12
InChIInChI=1S/C21H28Cl2/c1-3-4-5-6-7-8-12-17(2)21(22,23)20-16-11-14-18-13-9-10-15-19(18)20/h9-11,13-17H,3-8,12H2,1-2H3
InChIKeyQCDGMIAKGLCXRB-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297
1-(3,4-difluorododec-1-en-3-yl)naphthalene
CID 152550458
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
1-(2-methylhexadecyl)naphthalene
CID 139758361
heptane;phenanthrene
CID 157482146
1-octacosan-4-ylnaphthalene
CID 54149804
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
1-(trichloromethyl)naphthalene
CID 12791328
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
1-decan-5-ylnaphthalene
CID 14029915

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dichloro-2-methyldecyl)naphthalene?
The IUPAC name of 1-(1,1-dichloro-2-methyldecyl)naphthalene (CID 151559313) is 1-(1,1-dichloro-2-methyldecyl)naphthalene.
What is the SMILES notation for 1-(1,1-dichloro-2-methyldecyl)naphthalene?
The canonical SMILES for 1-(1,1-dichloro-2-methyldecyl)naphthalene is CCCCCCCCC(C)C(Cl)(Cl)c1cccc2ccccc12.
What is the InChIKey of 1-(1,1-dichloro-2-methyldecyl)naphthalene?
The InChIKey is QCDGMIAKGLCXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2/c1-3-4-5-6-7-8-12-17(2)21(22,23)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 1-(1,1-dichloro-2-methyldecyl)naphthalene?
1-(1,1-dichloro-2-methyldecyl)naphthalene has a molecular weight of 351.36 g/mol, XLogP of 7.86, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichloro-2-methyldecyl)naphthalene is sourced from PubChem (CID 151559313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).