4-ethoxycyclohept-2-en-1-one

C9H14O2 — CID 139985475

IUPAC4-ethoxycyclohept-2-en-1-one
SMILESCCOC1C=CC(=O)CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9-5-3-4-8(10)6-7-9/h6-7,9H,2-5H2,1H3
InChIKeyKABPRQMBCQGNLZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 4-ethoxycyclohept-2-en-1-one

4-ethoxycyclohept-2-en-1-one (PubChem CID 139985475) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethoxycyclohept-2-en-1-one.

Molecular Properties

Compound Name4-ethoxycyclohept-2-en-1-one
PubChem CID139985475
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethoxycyclohept-2-en-1-one
SMILESCCOC1C=CC(=O)CCC1
InChIInChI=1S/C9H14O2/c1-2-11-9-5-3-4-8(10)6-7-9/h6-7,9H,2-5H2,1H3
InChIKeyKABPRQMBCQGNLZ-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 10559339
2-(4-Oxopentyl)-2,3-dihydropyran-6-one
CID 85185627
8-Oxabicyclo[3.2.1]oct-3-en-2-one
CID 57469482
(4-Oxocyclohept-2-en-1-yl) acetate
CID 14379679
(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 53391482
(4S)-4-[(E)-but-2-enoxy]cyclohex-2-en-1-one
CID 71578466
(2S)-2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 101555883
(4R)-4-ethoxycyclohex-2-en-1-one
CID 134857857
[(1R,5S,7R)-5,7-dimethyl-4-oxocyclohept-2-en-1-yl] acetate
CID 90662275
[(1R)-5,7-dimethyl-4-oxocyclohept-2-en-1-yl] acetate
CID 359307
4-Ethoxycyclohex-2-en-1-one
CID 86197929
(E)-9-propan-2-yloxynon-7-ene-3,6-dione
CID 88902517

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycyclohept-2-en-1-one?
The IUPAC name of 4-ethoxycyclohept-2-en-1-one (CID 139985475) is 4-ethoxycyclohept-2-en-1-one.
What is the SMILES notation for 4-ethoxycyclohept-2-en-1-one?
The canonical SMILES for 4-ethoxycyclohept-2-en-1-one is CCOC1C=CC(=O)CCC1.
What is the InChIKey of 4-ethoxycyclohept-2-en-1-one?
The InChIKey is KABPRQMBCQGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-5-3-4-8(10)6-7-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-ethoxycyclohept-2-en-1-one?
4-ethoxycyclohept-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycyclohept-2-en-1-one is sourced from PubChem (CID 139985475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).