1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene

C20H24Cl4 — CID 139893706

IUPAC1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)C(Cl)(Cl)c1cccc2c(C(Cl)(Cl)C(C)(C)C)cccc12
InChIInChI=1S/C20H24Cl4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3
InChIKeyVPNFSNJWMSVPRM-UHFFFAOYSA-N
MW406.22 g/mol
LogP8.19
Rot. Bonds2

About 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene

1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene (PubChem CID 139893706) has the molecular formula C20H24Cl4 and a molecular weight of 406.22 g/mol. Its IUPAC name is 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene.

Molecular Properties

Compound Name1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene
PubChem CID139893706
Molecular FormulaC20H24Cl4
Molecular Weight406.22 g/mol
Exact Mass404.06
IUPAC Name1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)C(Cl)(Cl)c1cccc2c(C(Cl)(Cl)C(C)(C)C)cccc12
InChIInChI=1S/C20H24Cl4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3
InChIKeyVPNFSNJWMSVPRM-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.22
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene?
The IUPAC name of 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene (CID 139893706) is 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene.
What is the SMILES notation for 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene?
The canonical SMILES for 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene is CC(C)(C)C(Cl)(Cl)c1cccc2c(C(Cl)(Cl)C(C)(C)C)cccc12.
What is the InChIKey of 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene?
The InChIKey is VPNFSNJWMSVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene?
1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene has a molecular weight of 406.22 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1,1-dichloro-2,2-dimethylpropyl)naphthalene is sourced from PubChem (CID 139893706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).