1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene

C15H21Cl — CID 115418044

IUPAC1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(CC)c2c1C(C)CCC2Cl
InChIInChI=1S/C15H21Cl/c1-4-11-7-8-12(5-2)15-13(16)9-6-10(3)14(11)15/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyWKROOACMKGENBV-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.99
Rot. Bonds2

About 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene

1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 115418044) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID115418044
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(CC)c2c1C(C)CCC2Cl
InChIInChI=1S/C15H21Cl/c1-4-11-7-8-12(5-2)15-13(16)9-6-10(3)14(11)15/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyWKROOACMKGENBV-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.99
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

(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115483246
(1S)-6,7-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115483191
4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 115418057
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
5-ethyl-1,6,7-trimethyl-2,3-dihydro-1H-indene
CID 170736432
(3aS,9bR)-6-chloro-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one
CID 11659249
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014213
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911
2-cyclohexyl-1-ethyl-3-iodobenzene
CID 175261690
6-cyclopropyl-3-ethyl-2-fluoropyridine
CID 174053558

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene (CID 115418044) is 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene is CCc1ccc(CC)c2c1C(C)CCC2Cl.
What is the InChIKey of 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WKROOACMKGENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-4-11-7-8-12(5-2)15-13(16)9-6-10(3)14(11)15/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 236.79 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 115418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).