1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate

C15H26O5 — CID 67515823

IUPAC1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O5/c1-5-18-14(17)19-10-13(16)20-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
InChIKeyBMMFNSZWJXJMEK-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.31
Rot. Bonds5

About 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate

1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate (PubChem CID 67515823) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate
PubChem CID67515823
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O5/c1-5-18-14(17)19-10-13(16)20-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3
InChIKeyBMMFNSZWJXJMEK-UHFFFAOYSA-N
XLogP3.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate (CID 67515823) is 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate is CCOC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate?
The InChIKey is BMMFNSZWJXJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-5-18-14(17)19-10-13(16)20-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate?
1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate has a molecular weight of 286.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)ethyl 2-ethoxycarbonyloxyacetate is sourced from PubChem (CID 67515823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).