2-azulen-6-ylethyl acetate

C14H14O2 — CID 593065

IUPAC2-azulen-6-ylethyl acetate
SMILESCC(=O)OCCc1ccc2cccc-2cc1
InChIInChI=1S/C14H14O2/c1-11(15)16-10-9-12-5-7-13-3-2-4-14(13)8-6-12/h2-8H,9-10H2,1H3
InChIKeyYANCJLLEBAFUAW-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.90
Rot. Bonds3

About 2-azulen-6-ylethyl acetate

2-azulen-6-ylethyl acetate (PubChem CID 593065) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-azulen-6-ylethyl acetate.

Molecular Properties

Compound Name2-azulen-6-ylethyl acetate
PubChem CID593065
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-azulen-6-ylethyl acetate
SMILESCC(=O)OCCc1ccc2cccc-2cc1
InChIInChI=1S/C14H14O2/c1-11(15)16-10-9-12-5-7-13-3-2-4-14(13)8-6-12/h2-8H,9-10H2,1H3
InChIKeyYANCJLLEBAFUAW-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azulen-6-ylethyl acetate?
The IUPAC name of 2-azulen-6-ylethyl acetate (CID 593065) is 2-azulen-6-ylethyl acetate.
What is the SMILES notation for 2-azulen-6-ylethyl acetate?
The canonical SMILES for 2-azulen-6-ylethyl acetate is CC(=O)OCCc1ccc2cccc-2cc1.
What is the InChIKey of 2-azulen-6-ylethyl acetate?
The InChIKey is YANCJLLEBAFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(15)16-10-9-12-5-7-13-3-2-4-14(13)8-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-azulen-6-ylethyl acetate?
2-azulen-6-ylethyl acetate has a molecular weight of 214.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azulen-6-ylethyl acetate is sourced from PubChem (CID 593065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).