methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate

C23H40O6 — CID 91049295

IUPACmethyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate
SMILESCCCOC(=O)COC1CCC(C(C)(C)C2CCC(OCC(=O)OC)CC2)CC1
InChIInChI=1S/C23H40O6/c1-5-14-27-22(25)16-29-20-12-8-18(9-13-20)23(2,3)17-6-10-19(11-7-17)28-15-21(24)26-4/h17-20H,5-16H2,1-4H3
InChIKeyGSXAECLVUWARRG-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.29
Rot. Bonds10

About methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate

methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate (PubChem CID 91049295) has the molecular formula C23H40O6 and a molecular weight of 412.57 g/mol. Its IUPAC name is methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate
PubChem CID91049295
Molecular FormulaC23H40O6
Molecular Weight412.57 g/mol
Exact Mass412.28
IUPAC Namemethyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate
SMILESCCCOC(=O)COC1CCC(C(C)(C)C2CCC(OCC(=O)OC)CC2)CC1
InChIInChI=1S/C23H40O6/c1-5-14-27-22(25)16-29-20-12-8-18(9-13-20)23(2,3)17-6-10-19(11-7-17)28-15-21(24)26-4/h17-20H,5-16H2,1-4H3
InChIKeyGSXAECLVUWARRG-UHFFFAOYSA-N
XLogP4.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate with MolForge

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Related Compounds

propyl 2-piperidin-4-yloxyacetate
CID 63871576
2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate
CID 161149763
1,3-bis[(4-tert-butylcyclohexyl)oxy]propan-2-one
CID 51351178
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
CID 112588078
tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
CID 140638339
ethyl 2-(1,1-dioxothian-4-yl)oxyacetate
CID 166884865
propyl 4-cyclopropyl-3-oxobutanoate
CID 139840046
propyl 3-cyclopentylpropanoate
CID 43389546
butyl 2-(3-hydroxycyclobutyl)oxyacetate
CID 139512453
ethyl 2-(3-aminocyclopentyl)oxyacetate
CID 106940565
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate?
The IUPAC name of methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate (CID 91049295) is methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate.
What is the SMILES notation for methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate?
The canonical SMILES for methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate is CCCOC(=O)COC1CCC(C(C)(C)C2CCC(OCC(=O)OC)CC2)CC1.
What is the InChIKey of methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate?
The InChIKey is GSXAECLVUWARRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O6/c1-5-14-27-22(25)16-29-20-12-8-18(9-13-20)23(2,3)17-6-10-19(11-7-17)28-15-21(24)26-4/h17-20H,5-16H2,1-4H3.
What are the key properties of methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate?
methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate has a molecular weight of 412.57 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate is sourced from PubChem (CID 91049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).