6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene

C18H25Cl — CID 70627056

IUPAC6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene
SMILESC=CCc1cc2c(cc1CCl)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25Cl/c1-6-7-13-10-15-16(11-14(13)12-19)18(4,5)9-8-17(15,2)3/h6,10-11H,1,7-9,12H2,2-5H3
InChIKeyFSSFZYFOPPLFBZ-UHFFFAOYSA-N
MW276.85 g/mol
LogP5.50
Rot. Bonds3

About 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene

6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene (PubChem CID 70627056) has the molecular formula C18H25Cl and a molecular weight of 276.85 g/mol. Its IUPAC name is 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene
PubChem CID70627056
Molecular FormulaC18H25Cl
Molecular Weight276.85 g/mol
Exact Mass276.16
IUPAC Name6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene
SMILESC=CCc1cc2c(cc1CCl)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25Cl/c1-6-7-13-10-15-16(11-14(13)12-19)18(4,5)9-8-17(15,2)3/h6,10-11H,1,7-9,12H2,2-5H3
InChIKeyFSSFZYFOPPLFBZ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.85
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene?
The IUPAC name of 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene (CID 70627056) is 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene is C=CCc1cc2c(cc1CCl)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene?
The InChIKey is FSSFZYFOPPLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl/c1-6-7-13-10-15-16(11-14(13)12-19)18(4,5)9-8-17(15,2)3/h6,10-11H,1,7-9,12H2,2-5H3.
What are the key properties of 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene?
6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene has a molecular weight of 276.85 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene is sourced from PubChem (CID 70627056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).