1-cyclohexyloxyethyl acetate

C10H18O3 — CID 58944366

IUPAC1-cyclohexyloxyethyl acetate
SMILESCC(=O)OC(C)OC1CCCCC1
InChIInChI=1S/C10H18O3/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3
InChIKeyOPORRDLCVPYYLC-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.24
Rot. Bonds3

About 1-cyclohexyloxyethyl acetate

1-cyclohexyloxyethyl acetate (PubChem CID 58944366) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclohexyloxyethyl acetate.

Molecular Properties

Compound Name1-cyclohexyloxyethyl acetate
PubChem CID58944366
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-cyclohexyloxyethyl acetate
SMILESCC(=O)OC(C)OC1CCCCC1
InChIInChI=1S/C10H18O3/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3
InChIKeyOPORRDLCVPYYLC-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.24
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-cyclopentyloxyethyl acetate
CID 58944284
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
CID 176856964
1-propan-2-yloxyethoxycycloundecane
CID 21496393
1-cyclopentylethyl acetate
CID 12705472
cycloheptadecyl acetate
CID 57215828
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
propan-2-yloxycycloundecane
CID 91254526
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
CID 91172344
1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
CID 154973670
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
CID 90149743

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxyethyl acetate?
The IUPAC name of 1-cyclohexyloxyethyl acetate (CID 58944366) is 1-cyclohexyloxyethyl acetate.
What is the SMILES notation for 1-cyclohexyloxyethyl acetate?
The canonical SMILES for 1-cyclohexyloxyethyl acetate is CC(=O)OC(C)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxyethyl acetate?
The InChIKey is OPORRDLCVPYYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(11)12-9(2)13-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyloxyethyl acetate?
1-cyclohexyloxyethyl acetate has a molecular weight of 186.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxyethyl acetate is sourced from PubChem (CID 58944366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).