5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene

C17H24 — CID 163746536

IUPAC5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene
SMILESCCc1c(C)ccc2c1C=C(C)C(C)C2(C)C
InChIInChI=1S/C17H24/c1-7-14-11(2)8-9-16-15(14)10-12(3)13(4)17(16,5)6/h8-10,13H,7H2,1-6H3
InChIKeyLMJCFNNVKJZETL-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.89
Rot. Bonds1

About 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene

5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene (PubChem CID 163746536) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene.

Molecular Properties

Compound Name5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene
PubChem CID163746536
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene
SMILESCCc1c(C)ccc2c1C=C(C)C(C)C2(C)C
InChIInChI=1S/C17H24/c1-7-14-11(2)8-9-16-15(14)10-12(3)13(4)17(16,5)6/h8-10,13H,7H2,1-6H3
InChIKeyLMJCFNNVKJZETL-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene?
The IUPAC name of 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene (CID 163746536) is 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene.
What is the SMILES notation for 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene?
The canonical SMILES for 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene is CCc1c(C)ccc2c1C=C(C)C(C)C2(C)C.
What is the InChIKey of 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene?
The InChIKey is LMJCFNNVKJZETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-7-14-11(2)8-9-16-15(14)10-12(3)13(4)17(16,5)6/h8-10,13H,7H2,1-6H3.
What are the key properties of 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene?
5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene has a molecular weight of 228.38 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,2,3,6-pentamethyl-2H-naphthalene is sourced from PubChem (CID 163746536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).