[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate

C11H18O5 — CID 22216331

IUPAC[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate
SMILESCOC(C)OCOC1C=CC(OC(C)=O)C1
InChIInChI=1S/C11H18O5/c1-8(12)16-11-5-4-10(6-11)15-7-14-9(2)13-3/h4-5,9-11H,6-7H2,1-3H3
InChIKeyCECCQOBVWVYDLC-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.23
Rot. Bonds6

About [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate

[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate (PubChem CID 22216331) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate
PubChem CID22216331
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate
SMILESCOC(C)OCOC1C=CC(OC(C)=O)C1
InChIInChI=1S/C11H18O5/c1-8(12)16-11-5-4-10(6-11)15-7-14-9(2)13-3/h4-5,9-11H,6-7H2,1-3H3
InChIKeyCECCQOBVWVYDLC-UHFFFAOYSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673
[(1R,4R,5S)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate
CID 13377895
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
CID 538040
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl acetate
CID 154082194
2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl acetate
CID 68997394
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
2-(1-methoxyethoxymethoxy)acetic acid
CID 87346668

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate (CID 22216331) is [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate is COC(C)OCOC1C=CC(OC(C)=O)C1.
What is the InChIKey of [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate?
The InChIKey is CECCQOBVWVYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-8(12)16-11-5-4-10(6-11)15-7-14-9(2)13-3/h4-5,9-11H,6-7H2,1-3H3.
What are the key properties of [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate?
[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate has a molecular weight of 230.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 22216331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).