[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate

C24H40O6 — CID 153456033

IUPAC[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)OCOC1CCC(OCOC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C24H40O6/c25-23(15-19-7-3-1-4-8-19)29-17-27-21-11-13-22(14-12-21)28-18-30-24(26)16-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyGHCVZSLJUMQCSQ-UHFFFAOYSA-N
MW424.58 g/mol
LogP5.27
Rot. Bonds10

About [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate

[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate (PubChem CID 153456033) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol. Its IUPAC name is [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate.

Molecular Properties

Compound Name[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
PubChem CID153456033
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Name[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)OCOC1CCC(OCOC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C24H40O6/c25-23(15-19-7-3-1-4-8-19)29-17-27-21-11-13-22(14-12-21)28-18-30-24(26)16-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyGHCVZSLJUMQCSQ-UHFFFAOYSA-N
XLogP5.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.58
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
CID 121486100
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
2-[2-[2-(2-cyclohexylacetyl)oxyethoxy]cyclohexyl]oxyethyl 2-cyclohexylacetate
CID 153456013
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
cyanomethyl 2-cyclohexylacetate
CID 101408563
trifluoromethylsulfonyloxymethyl 2-cyclohexylacetate
CID 151994272
2-cyclodecylacetamide
CID 150110792
(3,5-diaminophenyl)methyl 2-cyclohexylacetate
CID 89125069
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
ethyl 2-(azocan-5-yl)acetate
CID 123423074
nitro 2-cycloheptylacetate
CID 175609649
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate?
The IUPAC name of [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate (CID 153456033) is [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate.
What is the SMILES notation for [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate?
The canonical SMILES for [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate is O=C(CC1CCCCC1)OCOC1CCC(OCOC(=O)CC2CCCCC2)CC1.
What is the InChIKey of [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate?
The InChIKey is GHCVZSLJUMQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O6/c25-23(15-19-7-3-1-4-8-19)29-17-27-21-11-13-22(14-12-21)28-18-30-24(26)16-20-9-5-2-6-10-20/h19-22H,1-18H2.
What are the key properties of [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate?
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate has a molecular weight of 424.58 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate is sourced from PubChem (CID 153456033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).