2-cyclohexylbutan-2-yl 2-acetyloxyacetate

C14H24O4 — CID 123313705

IUPAC2-cyclohexylbutan-2-yl 2-acetyloxyacetate
SMILESCCC(C)(OC(=O)COC(C)=O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-4-14(3,12-8-6-5-7-9-12)18-13(16)10-17-11(2)15/h12H,4-10H2,1-3H3
InChIKeyVNGUUEKHENBHOV-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds5

About 2-cyclohexylbutan-2-yl 2-acetyloxyacetate

2-cyclohexylbutan-2-yl 2-acetyloxyacetate (PubChem CID 123313705) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-cyclohexylbutan-2-yl 2-acetyloxyacetate.

Molecular Properties

Compound Name2-cyclohexylbutan-2-yl 2-acetyloxyacetate
PubChem CID123313705
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-cyclohexylbutan-2-yl 2-acetyloxyacetate
SMILESCCC(C)(OC(=O)COC(C)=O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-4-14(3,12-8-6-5-7-9-12)18-13(16)10-17-11(2)15/h12H,4-10H2,1-3H3
InChIKeyVNGUUEKHENBHOV-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Menglytate
CID 68932
Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
CID 21933618
(1S)-1-[(1R)-3,3-Dimethylcyclohexyl]ethyl 2-(1-oxopropoxy)acetate
CID 11357714
Menglytat
CID 10444425
Oxalic acid, cyclohexylmethyl isohexyl ester
CID 6421695
Oxalic acid, cyclohexylmethyl tridecyl ester
CID 6421725
methyl 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 71623260
3,7-Dimethyloctyl ethyl oxalate
CID 108514
Tert-butyl 2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxyacetate
CID 58205700
[2-(1-Ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoropropanoate
CID 58225705
[2-(1-Ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2-methylpropanoate
CID 58225708
[2-(1-Ethylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate
CID 59602473

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbutan-2-yl 2-acetyloxyacetate?
The IUPAC name of 2-cyclohexylbutan-2-yl 2-acetyloxyacetate (CID 123313705) is 2-cyclohexylbutan-2-yl 2-acetyloxyacetate.
What is the SMILES notation for 2-cyclohexylbutan-2-yl 2-acetyloxyacetate?
The canonical SMILES for 2-cyclohexylbutan-2-yl 2-acetyloxyacetate is CCC(C)(OC(=O)COC(C)=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbutan-2-yl 2-acetyloxyacetate?
The InChIKey is VNGUUEKHENBHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-14(3,12-8-6-5-7-9-12)18-13(16)10-17-11(2)15/h12H,4-10H2,1-3H3.
What are the key properties of 2-cyclohexylbutan-2-yl 2-acetyloxyacetate?
2-cyclohexylbutan-2-yl 2-acetyloxyacetate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbutan-2-yl 2-acetyloxyacetate is sourced from PubChem (CID 123313705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).