1,3,7-triethylnaphthalene

C16H20 — CID 71445350

IUPAC1,3,7-triethylnaphthalene
SMILESCCc1cc(CC)c2cc(CC)ccc2c1
InChIInChI=1S/C16H20/c1-4-12-7-8-15-10-13(5-2)9-14(6-3)16(15)11-12/h7-11H,4-6H2,1-3H3
InChIKeyDQOGELDOGPHXCL-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.53
Rot. Bonds3

About 1,3,7-triethylnaphthalene

1,3,7-triethylnaphthalene (PubChem CID 71445350) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,3,7-triethylnaphthalene.

Molecular Properties

Compound Name1,3,7-triethylnaphthalene
PubChem CID71445350
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1,3,7-triethylnaphthalene
SMILESCCc1cc(CC)c2cc(CC)ccc2c1
InChIInChI=1S/C16H20/c1-4-12-7-8-15-10-13(5-2)9-14(6-3)16(15)11-12/h7-11H,4-6H2,1-3H3
InChIKeyDQOGELDOGPHXCL-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-triethylnaphthalene?
The IUPAC name of 1,3,7-triethylnaphthalene (CID 71445350) is 1,3,7-triethylnaphthalene.
What is the SMILES notation for 1,3,7-triethylnaphthalene?
The canonical SMILES for 1,3,7-triethylnaphthalene is CCc1cc(CC)c2cc(CC)ccc2c1.
What is the InChIKey of 1,3,7-triethylnaphthalene?
The InChIKey is DQOGELDOGPHXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-12-7-8-15-10-13(5-2)9-14(6-3)16(15)11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of 1,3,7-triethylnaphthalene?
1,3,7-triethylnaphthalene has a molecular weight of 212.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-triethylnaphthalene is sourced from PubChem (CID 71445350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).