2-ethoxycyclohept-2-en-1-one

C9H14O2 — CID 151305775

IUPAC2-ethoxycyclohept-2-en-1-one
SMILESCCOC1=CCCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-11-9-7-5-3-4-6-8(9)10/h7H,2-6H2,1H3
InChIKeyODJIDIYPOMTYPU-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

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

2-ethoxycyclohept-2-en-1-one (PubChem CID 151305775) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethoxycyclohept-2-en-1-one.

Molecular Properties

Compound Name2-ethoxycyclohept-2-en-1-one
PubChem CID151305775
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethoxycyclohept-2-en-1-one
SMILESCCOC1=CCCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-11-9-7-5-3-4-6-8(9)10/h7H,2-6H2,1H3
InChIKeyODJIDIYPOMTYPU-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Butyl-2-methyl-4-oxofuran-3-olate
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Methanone, 1-cyclopenten-1-yl(3,4-dihydro-2H-pyran-6-yl)-
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2-(2-Methylpropoxy)cyclohex-2-en-1-one
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2-Propoxycyclohex-2-en-1-one
CID 13678104
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925
3,4-dihydro-2H-pyran-6-yl-(2-methylcyclopenten-1-yl)methanone
CID 45098701
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenehexan-1-one
CID 85991139
(E)-3-methoxy-4-oxopentadec-2-enal
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(E)-3-methoxy-4-oxodec-2-enal
CID 11275643

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycyclohept-2-en-1-one?
The IUPAC name of 2-ethoxycyclohept-2-en-1-one (CID 151305775) is 2-ethoxycyclohept-2-en-1-one.
What is the SMILES notation for 2-ethoxycyclohept-2-en-1-one?
The canonical SMILES for 2-ethoxycyclohept-2-en-1-one is CCOC1=CCCCCC1=O.
What is the InChIKey of 2-ethoxycyclohept-2-en-1-one?
The InChIKey is ODJIDIYPOMTYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-7-5-3-4-6-8(9)10/h7H,2-6H2,1H3.
What are the key properties of 2-ethoxycyclohept-2-en-1-one?
2-ethoxycyclohept-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycyclohept-2-en-1-one is sourced from PubChem (CID 151305775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).