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

C15H21Cl — CID 2800891

IUPAC6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(CCl)ccc21
InChIInChI=1S/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
InChIKeySSAGWEFEPFPFJC-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.77
Rot. Bonds1

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

6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 2800891) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID2800891
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(CCl)ccc21
InChIInChI=1S/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
InChIKeySSAGWEFEPFPFJC-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.77
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 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 2800891) is 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(CCl)ccc21.
What is the InChIKey of 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is SSAGWEFEPFPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 236.79 g/mol, XLogP of 4.77, 1 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-2,3-dihydronaphthalene is sourced from PubChem (CID 2800891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).