3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one

C14H20O3 — CID 86034409

IUPAC3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one
SMILESCCOCOC1CCC=C1C1=CC(=O)CCC1
InChIInChI=1S/C14H20O3/c1-2-16-10-17-14-8-4-7-13(14)11-5-3-6-12(15)9-11/h7,9,14H,2-6,8,10H2,1H3
InChIKeyNAWQJUQWGVOSTQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.77
Rot. Bonds5

About 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one

3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one (PubChem CID 86034409) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one
PubChem CID86034409
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one
SMILESCCOCOC1CCC=C1C1=CC(=O)CCC1
InChIInChI=1S/C14H20O3/c1-2-16-10-17-14-8-4-7-13(14)11-5-3-6-12(15)9-11/h7,9,14H,2-6,8,10H2,1H3
InChIKeyNAWQJUQWGVOSTQ-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(Methoxymethoxy)-1,2,3,5,6,7,8,9-octahydrobenzo[7]annulen-4-one
CID 101599445
(6S)-7-methyl-6-(2-trimethylsilylethoxymethoxy)-1,4,5,6-tetrahydroinden-2-one
CID 15699670
(2S,3E,7E,11S)-2-(methoxymethoxy)-4,8,11-trimethyl-15-methylidenebicyclo[9.3.1]pentadeca-1(14),3,7-trien-13-one
CID 24178868
1-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-5-methylhex-4-en-3-one
CID 45113834
Methyl 4-[5-(methoxymethoxy)cyclopenten-1-yl]butanoate
CID 85869993
2-[(1E,3E)-5-(methoxymethoxy)deca-1,3-dienyl]cyclopent-2-en-1-one
CID 135008160
6-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hexane-2,3-dione
CID 71813451
2-Methoxy-1,2,5,7,8,9-hexahydrobenzo[7]annulen-6-one
CID 20450151
6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68446381
5-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141003779
4-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141174086
1-[4-(1-Methoxypropyl)cyclohexa-1,3-dien-1-yl]ethanone
CID 145580372

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one?
The IUPAC name of 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one (CID 86034409) is 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one is CCOCOC1CCC=C1C1=CC(=O)CCC1.
What is the InChIKey of 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one?
The InChIKey is NAWQJUQWGVOSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-16-10-17-14-8-4-7-13(14)11-5-3-6-12(15)9-11/h7,9,14H,2-6,8,10H2,1H3.
What are the key properties of 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one?
3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethoxymethoxy)cyclopenten-1-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 86034409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).