3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene

C15H14Cl2 — CID 79838258

IUPAC3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
SMILESCC1(C)CC(Cl)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H14Cl2/c1-15(2)8-13(17)11-7-12(16)9-5-3-4-6-10(9)14(11)15/h3-7,13H,8H2,1-2H3
InChIKeyWPWNDFXMOGSNRV-UHFFFAOYSA-N
MW265.18 g/mol
LogP5.45
Rot. Bonds

About 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene

3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene (PubChem CID 79838258) has the molecular formula C15H14Cl2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene.

Molecular Properties

Compound Name3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
PubChem CID79838258
Molecular FormulaC15H14Cl2
Molecular Weight265.18 g/mol
Exact Mass264.05
IUPAC Name3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
SMILESCC1(C)CC(Cl)c2cc(Cl)c3ccccc3c21
InChIInChI=1S/C15H14Cl2/c1-15(2)8-13(17)11-7-12(16)9-5-3-4-6-10(9)14(11)15/h3-7,13H,8H2,1-2H3
InChIKeyWPWNDFXMOGSNRV-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.18
LogP ≤ 55.45
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 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The IUPAC name of 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene (CID 79838258) is 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene.
What is the SMILES notation for 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The canonical SMILES for 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene is CC1(C)CC(Cl)c2cc(Cl)c3ccccc3c21.
What is the InChIKey of 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
The InChIKey is WPWNDFXMOGSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2/c1-15(2)8-13(17)11-7-12(16)9-5-3-4-6-10(9)14(11)15/h3-7,13H,8H2,1-2H3.
What are the key properties of 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene?
3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene has a molecular weight of 265.18 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene is sourced from PubChem (CID 79838258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).