1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene

C15H15Cl3 — CID 57258999

IUPAC1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
SMILESCC(C)(CC(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H15Cl3/c1-14(2,10-15(16,17)18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3
InChIKeyIEEWGIZVECNRKT-UHFFFAOYSA-N
MW301.64 g/mol
LogP5.88
Rot. Bonds2

About 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene

1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene (PubChem CID 57258999) has the molecular formula C15H15Cl3 and a molecular weight of 301.64 g/mol. Its IUPAC name is 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene.

Molecular Properties

Compound Name1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
PubChem CID57258999
Molecular FormulaC15H15Cl3
Molecular Weight301.64 g/mol
Exact Mass300.02
IUPAC Name1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
SMILESCC(C)(CC(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H15Cl3/c1-14(2,10-15(16,17)18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3
InChIKeyIEEWGIZVECNRKT-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.64
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(trichloromethyl)naphthalene
CID 12791328
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-[dichloro-[dichloro(naphthalen-1-yl)methyl]sulfanylmethyl]naphthalene
CID 140973292
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313
1,2-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 19766935

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene?
The IUPAC name of 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene (CID 57258999) is 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene.
What is the SMILES notation for 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene?
The canonical SMILES for 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene is CC(C)(CC(Cl)(Cl)Cl)c1cccc2ccccc12.
What is the InChIKey of 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene?
The InChIKey is IEEWGIZVECNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3/c1-14(2,10-15(16,17)18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene?
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene has a molecular weight of 301.64 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene is sourced from PubChem (CID 57258999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).