[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate

C19H34O4 — CID 123644548

IUPAC[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate
SMILESCCC(C)(CC)C(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1
InChIInChI=1S/C19H34O4/c1-7-18(5,8-2)17(3,4)16(21)22-14-15(20)23-19(6)12-10-9-11-13-19/h7-14H2,1-6H3
InChIKeyDDOBJJUCOQETNH-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.65
Rot. Bonds7

About [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate

[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate (PubChem CID 123644548) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate.

Molecular Properties

Compound Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate
PubChem CID123644548
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate
SMILESCCC(C)(CC)C(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1
InChIInChI=1S/C19H34O4/c1-7-18(5,8-2)17(3,4)16(21)22-14-15(20)23-19(6)12-10-9-11-13-19/h7-14H2,1-6H3
InChIKeyDDOBJJUCOQETNH-UHFFFAOYSA-N
XLogP4.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate?
The IUPAC name of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate (CID 123644548) is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate.
What is the SMILES notation for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate?
The canonical SMILES for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate is CCC(C)(CC)C(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.
What is the InChIKey of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate?
The InChIKey is DDOBJJUCOQETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-7-18(5,8-2)17(3,4)16(21)22-14-15(20)23-19(6)12-10-9-11-13-19/h7-14H2,1-6H3.
What are the key properties of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate?
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate has a molecular weight of 326.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate is sourced from PubChem (CID 123644548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).