6-ethyl-1,7-dimethylnaphthalene

C14H16 — CID 86142528

IUPAC6-ethyl-1,7-dimethylnaphthalene
SMILESCCc1cc2cccc(C)c2cc1C
InChIInChI=1S/C14H16/c1-4-12-9-13-7-5-6-10(2)14(13)8-11(12)3/h5-9H,4H2,1-3H3
InChIKeyBTQPWJQBVLHQQL-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.02
Rot. Bonds1

About 6-ethyl-1,7-dimethylnaphthalene

6-ethyl-1,7-dimethylnaphthalene (PubChem CID 86142528) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-ethyl-1,7-dimethylnaphthalene.

Molecular Properties

Compound Name6-ethyl-1,7-dimethylnaphthalene
PubChem CID86142528
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name6-ethyl-1,7-dimethylnaphthalene
SMILESCCc1cc2cccc(C)c2cc1C
InChIInChI=1S/C14H16/c1-4-12-9-13-7-5-6-10(2)14(13)8-11(12)3/h5-9H,4H2,1-3H3
InChIKeyBTQPWJQBVLHQQL-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
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2-ethyl-3-(2-methylphenyl)naphthalene
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1-ethyl-7-methylnaphthalene
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CID 174764021
N,N-diethyl-5-methylnaphthalen-2-amine
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N,N,8-trimethylnaphthalen-2-amine
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2-butyl-3-methylnaphthalene
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,7-dimethylnaphthalene?
The IUPAC name of 6-ethyl-1,7-dimethylnaphthalene (CID 86142528) is 6-ethyl-1,7-dimethylnaphthalene.
What is the SMILES notation for 6-ethyl-1,7-dimethylnaphthalene?
The canonical SMILES for 6-ethyl-1,7-dimethylnaphthalene is CCc1cc2cccc(C)c2cc1C.
What is the InChIKey of 6-ethyl-1,7-dimethylnaphthalene?
The InChIKey is BTQPWJQBVLHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-4-12-9-13-7-5-6-10(2)14(13)8-11(12)3/h5-9H,4H2,1-3H3.
What are the key properties of 6-ethyl-1,7-dimethylnaphthalene?
6-ethyl-1,7-dimethylnaphthalene has a molecular weight of 184.28 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,7-dimethylnaphthalene is sourced from PubChem (CID 86142528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).