6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C16H23Cl — CID 97175249

IUPAC6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESC[C@@H](Cl)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23Cl/c1-11(17)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10-11H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyWJKRYROIIOKJIT-LLVKDONJSA-N
MW250.81 g/mol
LogP5.34
Rot. Bonds1

About 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 97175249) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID97175249
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESC[C@@H](Cl)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23Cl/c1-11(17)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10-11H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyWJKRYROIIOKJIT-LLVKDONJSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.34
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

6-(1-chloroethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 71633194
2,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-ol
CID 116525912
3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
CID 116525941
(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 11184593
2-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]oxolane
CID 116525931
2-chloro-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-one
CID 116525782
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
CID 107001422
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 116525810
3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
CID 116525828
1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-amine
CID 116525818
1-(1,1,3,3-tetramethyl-2H-inden-5-yl)ethanol
CID 20543027
(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
CID 97177607

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 97175249) is 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is C[C@@H](Cl)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is WJKRYROIIOKJIT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23Cl/c1-11(17)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10-11H,8-9H2,1-5H3/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 250.81 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 97175249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).