7-ethyl-1,4-dimethylazulene

C14H16 — CID 10719

IUPAC7-ethyl-1,4-dimethylazulene
SMILESCCc1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKeyGXGJIOMUZAGVEH-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.97
Rot. Bonds1

About 7-ethyl-1,4-dimethylazulene

7-ethyl-1,4-dimethylazulene (PubChem CID 10719) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-ethyl-1,4-dimethylazulene.

Molecular Properties

Compound Name7-ethyl-1,4-dimethylazulene
PubChem CID10719
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name7-ethyl-1,4-dimethylazulene
SMILESCCc1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKeyGXGJIOMUZAGVEH-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,4-dimethylazulene?
The IUPAC name of 7-ethyl-1,4-dimethylazulene (CID 10719) is 7-ethyl-1,4-dimethylazulene.
What is the SMILES notation for 7-ethyl-1,4-dimethylazulene?
The canonical SMILES for 7-ethyl-1,4-dimethylazulene is CCc1ccc(C)c2ccc(C)c-2c1.
What is the InChIKey of 7-ethyl-1,4-dimethylazulene?
The InChIKey is GXGJIOMUZAGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3.
What are the key properties of 7-ethyl-1,4-dimethylazulene?
7-ethyl-1,4-dimethylazulene has a molecular weight of 184.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,4-dimethylazulene is sourced from PubChem (CID 10719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).