4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene

C29H42 — CID 142040803

IUPAC4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
SMILESC.C.CCC1(C)CCC(C)(C)c2ccc(C)cc21.Cc1ccc2ccccc2c1
InChIInChI=1S/C16H24.C11H10.2CH4/c1-6-16(5)10-9-15(3,4)13-8-7-12(2)11-14(13)16;1-9-6-7-10-4-2-3-5-11(10)8-9;;/h7-8,11H,6,9-10H2,1-5H3;2-8H,1H3;2*1H4
InChIKeyBUXJNRLLBAHZLV-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.15
Rot. Bonds1

About 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene

4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene (PubChem CID 142040803) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene.

Molecular Properties

Compound Name4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
PubChem CID142040803
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
SMILESC.C.CCC1(C)CCC(C)(C)c2ccc(C)cc21.Cc1ccc2ccccc2c1
InChIInChI=1S/C16H24.C11H10.2CH4/c1-6-16(5)10-9-15(3,4)13-8-7-12(2)11-14(13)16;1-9-6-7-10-4-2-3-5-11(10)8-9;;/h7-8,11H,6,9-10H2,1-5H3;2-8H,1H3;2*1H4
InChIKeyBUXJNRLLBAHZLV-UHFFFAOYSA-N
XLogP9.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
CID 142986955
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
lithium;hydride;2-methylnaphthalene
CID 175090071
2-(6-methylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolane
CID 20709722
butane;2-methylanthracene
CID 90696557
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2-methylnaphthalene;1,2-xylene
CID 142041411
2,6-dimethylnaphthalene;propane
CID 142191183
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene?
The IUPAC name of 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene (CID 142040803) is 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene.
What is the SMILES notation for 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene?
The canonical SMILES for 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene is C.C.CCC1(C)CCC(C)(C)c2ccc(C)cc21.Cc1ccc2ccccc2c1.
What is the InChIKey of 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene?
The InChIKey is BUXJNRLLBAHZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C11H10.2CH4/c1-6-16(5)10-9-15(3,4)13-8-7-12(2)11-14(13)16;1-9-6-7-10-4-2-3-5-11(10)8-9;;/h7-8,11H,6,9-10H2,1-5H3;2-8H,1H3;2*1H4.
What are the key properties of 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene?
4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene has a molecular weight of 390.66 g/mol, XLogP of 9.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene is sourced from PubChem (CID 142040803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).