2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate

C18H32O6 — CID 58944231

IUPAC2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)C(C)O)CC1
InChIInChI=1S/C18H32O6/c1-11(19)15(21)23-17(3,4)13-7-9-14(10-8-13)18(5,6)24-16(22)12(2)20/h11-14,19-20H,7-10H2,1-6H3
InChIKeyBRDQIFQUZBSOEZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.20
Rot. Bonds6

About 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate

2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate (PubChem CID 58944231) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate
PubChem CID58944231
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)C(C)O)CC1
InChIInChI=1S/C18H32O6/c1-11(19)15(21)23-17(3,4)13-7-9-14(10-8-13)18(5,6)24-16(22)12(2)20/h11-14,19-20H,7-10H2,1-6H3
InChIKeyBRDQIFQUZBSOEZ-UHFFFAOYSA-N
XLogP2.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate?
The IUPAC name of 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate (CID 58944231) is 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate.
What is the SMILES notation for 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate?
The canonical SMILES for 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate is CC(O)C(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)C(C)O)CC1.
What is the InChIKey of 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate?
The InChIKey is BRDQIFQUZBSOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6/c1-11(19)15(21)23-17(3,4)13-7-9-14(10-8-13)18(5,6)24-16(22)12(2)20/h11-14,19-20H,7-10H2,1-6H3.
What are the key properties of 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate?
2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate has a molecular weight of 344.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]cyclohexyl]propan-2-yl 2-hydroxypropanoate is sourced from PubChem (CID 58944231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).