[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

C20H34O4 — CID 70988038

IUPAC[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(C)(C)CC1(C(=O)OCC(=O)OC2(C)CCCCC2)CC1(C)C
InChIInChI=1S/C20H34O4/c1-17(2,3)13-20(14-18(20,4)5)16(22)23-12-15(21)24-19(6)10-8-7-9-11-19/h7-14H2,1-6H3
InChIKeyPAXZPXKRGVZUBP-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.65
Rot. Bonds5

About [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 70988038) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID70988038
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(C)(C)CC1(C(=O)OCC(=O)OC2(C)CCCCC2)CC1(C)C
InChIInChI=1S/C20H34O4/c1-17(2,3)13-20(14-18(20,4)5)16(22)23-12-15(21)24-19(6)10-8-7-9-11-19/h7-14H2,1-6H3
InChIKeyPAXZPXKRGVZUBP-UHFFFAOYSA-N
XLogP4.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
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] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 70988038) is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is CC(C)(C)CC1(C(=O)OCC(=O)OC2(C)CCCCC2)CC1(C)C.
What is the InChIKey of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is PAXZPXKRGVZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-17(2,3)13-20(14-18(20,4)5)16(22)23-12-15(21)24-19(6)10-8-7-9-11-19/h7-14H2,1-6H3.
What are the key properties of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 4.65, 5 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] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 70988038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).