(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate

C14H26O3 — CID 10444425

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate
SMILESCCOCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyDXGZIMYAPNIRHS-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate (PubChem CID 10444425) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate
PubChem CID10444425
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate
SMILESCCOCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyDXGZIMYAPNIRHS-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate (CID 10444425) is (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate is CCOCC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate?
The InChIKey is DXGZIMYAPNIRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-16-9-14(15)17-13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate has a molecular weight of 242.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-ethoxyacetate is sourced from PubChem (CID 10444425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).