(1-ethylcyclohexa-2,4-dien-1-yl) acetate

C10H14O2 — CID 70149319

IUPAC(1-ethylcyclohexa-2,4-dien-1-yl) acetate
SMILESCCC1(OC(C)=O)C=CC=CC1
InChIInChI=1S/C10H14O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h4-7H,3,8H2,1-2H3
InChIKeyFXGHKBLWWPEMGS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds2

About (1-ethylcyclohexa-2,4-dien-1-yl) acetate

(1-ethylcyclohexa-2,4-dien-1-yl) acetate (PubChem CID 70149319) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1-ethylcyclohexa-2,4-dien-1-yl) acetate.

Molecular Properties

Compound Name(1-ethylcyclohexa-2,4-dien-1-yl) acetate
PubChem CID70149319
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1-ethylcyclohexa-2,4-dien-1-yl) acetate
SMILESCCC1(OC(C)=O)C=CC=CC1
InChIInChI=1S/C10H14O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h4-7H,3,8H2,1-2H3
InChIKeyFXGHKBLWWPEMGS-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexa-2,4-dien-1-yl) acetate?
The IUPAC name of (1-ethylcyclohexa-2,4-dien-1-yl) acetate (CID 70149319) is (1-ethylcyclohexa-2,4-dien-1-yl) acetate.
What is the SMILES notation for (1-ethylcyclohexa-2,4-dien-1-yl) acetate?
The canonical SMILES for (1-ethylcyclohexa-2,4-dien-1-yl) acetate is CCC1(OC(C)=O)C=CC=CC1.
What is the InChIKey of (1-ethylcyclohexa-2,4-dien-1-yl) acetate?
The InChIKey is FXGHKBLWWPEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h4-7H,3,8H2,1-2H3.
What are the key properties of (1-ethylcyclohexa-2,4-dien-1-yl) acetate?
(1-ethylcyclohexa-2,4-dien-1-yl) acetate has a molecular weight of 166.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexa-2,4-dien-1-yl) acetate is sourced from PubChem (CID 70149319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).