[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate

C18H28O6 — CID 3110574

IUPAC[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate
SMILESO=C(OC1OCCOC1OC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H28O6/c19-15(13-7-3-1-4-8-13)23-17-18(22-12-11-21-17)24-16(20)14-9-5-2-6-10-14/h13-14,17-18H,1-12H2
InChIKeyDBTAJZRTQFNCNW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.93
Rot. Bonds4

About [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate

[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate (PubChem CID 3110574) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate
PubChem CID3110574
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate
SMILESO=C(OC1OCCOC1OC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H28O6/c19-15(13-7-3-1-4-8-13)23-17-18(22-12-11-21-17)24-16(20)14-9-5-2-6-10-14/h13-14,17-18H,1-12H2
InChIKeyDBTAJZRTQFNCNW-UHFFFAOYSA-N
XLogP2.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate?
The IUPAC name of [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate (CID 3110574) is [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate.
What is the SMILES notation for [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate?
The canonical SMILES for [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate is O=C(OC1OCCOC1OC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate?
The InChIKey is DBTAJZRTQFNCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c19-15(13-7-3-1-4-8-13)23-17-18(22-12-11-21-17)24-16(20)14-9-5-2-6-10-14/h13-14,17-18H,1-12H2.
What are the key properties of [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate?
[3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate has a molecular weight of 340.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexanecarbonyloxy)-1,4-dioxan-2-yl] cyclohexanecarboxylate is sourced from PubChem (CID 3110574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).