1-butoxyethyl acetate;cyclohexanol;ethanol

C16H34O5 — CID 67699205

IUPAC1-butoxyethyl acetate;cyclohexanol;ethanol
SMILESCCCCOC(C)OC(C)=O.CCO.OC1CCCCC1
InChIInChI=1S/C8H16O3.C6H12O.C2H6O/c1-4-5-6-10-8(3)11-7(2)9;7-6-4-2-1-3-5-6;1-2-3/h8H,4-6H2,1-3H3;6-7H,1-5H2;3H,2H2,1H3
InChIKeyKMKCAOQSNRVQPA-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.02
Rot. Bonds5

About 1-butoxyethyl acetate;cyclohexanol;ethanol

1-butoxyethyl acetate;cyclohexanol;ethanol (PubChem CID 67699205) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-butoxyethyl acetate;cyclohexanol;ethanol.

Molecular Properties

Compound Name1-butoxyethyl acetate;cyclohexanol;ethanol
PubChem CID67699205
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Name1-butoxyethyl acetate;cyclohexanol;ethanol
SMILESCCCCOC(C)OC(C)=O.CCO.OC1CCCCC1
InChIInChI=1S/C8H16O3.C6H12O.C2H6O/c1-4-5-6-10-8(3)11-7(2)9;7-6-4-2-1-3-5-6;1-2-3/h8H,4-6H2,1-3H3;6-7H,1-5H2;3H,2H2,1H3
InChIKeyKMKCAOQSNRVQPA-UHFFFAOYSA-N
XLogP3.02
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-butoxyethyl acetate;cyclohexanol;ethanol?
The IUPAC name of 1-butoxyethyl acetate;cyclohexanol;ethanol (CID 67699205) is 1-butoxyethyl acetate;cyclohexanol;ethanol.
What is the SMILES notation for 1-butoxyethyl acetate;cyclohexanol;ethanol?
The canonical SMILES for 1-butoxyethyl acetate;cyclohexanol;ethanol is CCCCOC(C)OC(C)=O.CCO.OC1CCCCC1.
What is the InChIKey of 1-butoxyethyl acetate;cyclohexanol;ethanol?
The InChIKey is KMKCAOQSNRVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H12O.C2H6O/c1-4-5-6-10-8(3)11-7(2)9;7-6-4-2-1-3-5-6;1-2-3/h8H,4-6H2,1-3H3;6-7H,1-5H2;3H,2H2,1H3.
What are the key properties of 1-butoxyethyl acetate;cyclohexanol;ethanol?
1-butoxyethyl acetate;cyclohexanol;ethanol has a molecular weight of 306.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyethyl acetate;cyclohexanol;ethanol is sourced from PubChem (CID 67699205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).