1-cyclopentyloxyethyl acetate

C9H16O3 — CID 58944284

IUPAC1-cyclopentyloxyethyl acetate
SMILESCC(=O)OC(C)OC1CCCC1
InChIInChI=1S/C9H16O3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3
InChIKeyRVURSYSMLYDMOC-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclopentyloxyethyl acetate

1-cyclopentyloxyethyl acetate (PubChem CID 58944284) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-cyclopentyloxyethyl acetate.

Molecular Properties

Compound Name1-cyclopentyloxyethyl acetate
PubChem CID58944284
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-cyclopentyloxyethyl acetate
SMILESCC(=O)OC(C)OC1CCCC1
InChIInChI=1S/C9H16O3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3
InChIKeyRVURSYSMLYDMOC-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyloxyethyl acetate
CID 58944366
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
CID 176856964
[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
1-cyclopentylethyl acetate
CID 12705472
(6-acetyloxycyclodecyl) acetate
CID 539578
1-(2,4-dimethylcyclohexyl)oxyethyl acetate
CID 143197440
1-propan-2-yloxyethoxycycloundecane
CID 21496393
cycloheptadecyl acetate
CID 57215828
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
CID 91172344
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
CID 142208667

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxyethyl acetate?
The IUPAC name of 1-cyclopentyloxyethyl acetate (CID 58944284) is 1-cyclopentyloxyethyl acetate.
What is the SMILES notation for 1-cyclopentyloxyethyl acetate?
The canonical SMILES for 1-cyclopentyloxyethyl acetate is CC(=O)OC(C)OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxyethyl acetate?
The InChIKey is RVURSYSMLYDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(10)11-8(2)12-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyloxyethyl acetate?
1-cyclopentyloxyethyl acetate has a molecular weight of 172.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxyethyl acetate is sourced from PubChem (CID 58944284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).