ethane;2,2,4-trimethyl-1H-naphthalene

C17H28 — CID 143082444

IUPACethane;2,2,4-trimethyl-1H-naphthalene
SMILESCC.CC.CC1=CC(C)(C)Cc2ccccc21
InChIInChI=1S/C13H16.2C2H6/c1-10-8-13(2,3)9-11-6-4-5-7-12(10)11;2*1-2/h4-8H,9H2,1-3H3;2*1-2H3
InChIKeyHFCUOWMVGFHXBF-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.72
Rot. Bonds

About ethane;2,2,4-trimethyl-1H-naphthalene

ethane;2,2,4-trimethyl-1H-naphthalene (PubChem CID 143082444) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;2,2,4-trimethyl-1H-naphthalene.

Molecular Properties

Compound Nameethane;2,2,4-trimethyl-1H-naphthalene
PubChem CID143082444
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;2,2,4-trimethyl-1H-naphthalene
SMILESCC.CC.CC1=CC(C)(C)Cc2ccccc21
InChIInChI=1S/C13H16.2C2H6/c1-10-8-13(2,3)9-11-6-4-5-7-12(10)11;2*1-2/h4-8H,9H2,1-3H3;2*1-2H3
InChIKeyHFCUOWMVGFHXBF-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,3,3-trimethyl-4H-isoquinoline
CID 91378568
ethane;3-methyl-1H-indene
CID 90920725
1,3,3-trimethyl-4H-isoquinoline;hydrochloride
CID 52995067
1,3,3-trimethyl-4H-isoquinolin-2-ium chloride
CID 44654585
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
5-methyl-9H-benzo[7]annulene
CID 123648201
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
ethane;N,2,2,3,3-pentamethyl-4H-naphthalen-1-imine
CID 91296495
9,10-dihydrophenanthrene;ethane
CID 143759681
3,3-dimethyl-N-(4-methylphenyl)-4H-isoquinolin-1-amine
CID 139097110
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
1-(1,3-dimethylinden-1-yl)ethanone
CID 12609224

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4-trimethyl-1H-naphthalene?
The IUPAC name of ethane;2,2,4-trimethyl-1H-naphthalene (CID 143082444) is ethane;2,2,4-trimethyl-1H-naphthalene.
What is the SMILES notation for ethane;2,2,4-trimethyl-1H-naphthalene?
The canonical SMILES for ethane;2,2,4-trimethyl-1H-naphthalene is CC.CC.CC1=CC(C)(C)Cc2ccccc21.
What is the InChIKey of ethane;2,2,4-trimethyl-1H-naphthalene?
The InChIKey is HFCUOWMVGFHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.2C2H6/c1-10-8-13(2,3)9-11-6-4-5-7-12(10)11;2*1-2/h4-8H,9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2,2,4-trimethyl-1H-naphthalene?
ethane;2,2,4-trimethyl-1H-naphthalene has a molecular weight of 232.41 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4-trimethyl-1H-naphthalene is sourced from PubChem (CID 143082444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).