1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate

C15H26O5 — CID 20614080

IUPAC1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate
SMILESCCOC(=O)OC(C)OC(=O)CC1(CC)CCCCC1
InChIInChI=1S/C15H26O5/c1-4-15(9-7-6-8-10-15)11-13(16)19-12(3)20-14(17)18-5-2/h12H,4-11H2,1-3H3
InChIKeyXZYHZEFPAOCGRT-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.80
Rot. Bonds6

About 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate

1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate (PubChem CID 20614080) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate.

Molecular Properties

Compound Name1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate
PubChem CID20614080
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate
SMILESCCOC(=O)OC(C)OC(=O)CC1(CC)CCCCC1
InChIInChI=1S/C15H26O5/c1-4-15(9-7-6-8-10-15)11-13(16)19-12(3)20-14(17)18-5-2/h12H,4-11H2,1-3H3
InChIKeyXZYHZEFPAOCGRT-UHFFFAOYSA-N
XLogP3.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-methylcyclohexane-1-carboxylate
CID 14460242
Ethyl 3-(1-methylcyclohexyl)propanoate
CID 71333025
1-(2-Cyclohexylacetyl)oxyethyl 2,2,2-trifluoroacetate
CID 139665474
Ethyl 2-(1-ethyl-4-fluorocyclohexyl)acetate
CID 169828100
Ethyl 2-(1-ethyl-3-fluorocyclohexyl)acetate
CID 169828104
Propan-2-yl 1-ethylcyclohexane-1-carboxylate
CID 15517260
Propyl 2-(1-methylcyclohexyl)acetate
CID 141475646
(3R)-3-[2-(1,3-dioxan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 11229880
Ethyl 2-(1-butylcyclohexyl)acetate
CID 12933613
3-[2-(1,3-Dioxan-2-yl)ethyl]-3-methylcyclohexanone
CID 24977056
Nonanedioic acid nonyl ester 1-methylcyclohexylmethyl ester
CID 129658215
Nonanedioic acid 2,2-dimethylpentyl ester 1-methylcyclohexylmethyl ester
CID 129658823

Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate?
The IUPAC name of 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate (CID 20614080) is 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate.
What is the SMILES notation for 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate?
The canonical SMILES for 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate is CCOC(=O)OC(C)OC(=O)CC1(CC)CCCCC1.
What is the InChIKey of 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate?
The InChIKey is XZYHZEFPAOCGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-4-15(9-7-6-8-10-15)11-13(16)19-12(3)20-14(17)18-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate?
1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate has a molecular weight of 286.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate is sourced from PubChem (CID 20614080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).