2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid

C20H34O7 — CID 23815283

IUPAC2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
SMILESCC(O)CC1CCC(C(C)C(=O)OC(C)CC2CCC(C(C)C(=O)O)O2)O1
InChIInChI=1S/C20H34O7/c1-11(21)9-15-5-8-18(26-15)14(4)20(24)25-12(2)10-16-6-7-17(27-16)13(3)19(22)23/h11-18,21H,5-10H2,1-4H3,(H,22,23)
InChIKeyVIHRKOVEWCGJQP-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.53
Rot. Bonds9

About 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid

2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid (PubChem CID 23815283) has the molecular formula C20H34O7 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
PubChem CID23815283
Molecular FormulaC20H34O7
Molecular Weight386.49 g/mol
Exact Mass386.23
IUPAC Name2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
SMILESCC(O)CC1CCC(C(C)C(=O)OC(C)CC2CCC(C(C)C(=O)O)O2)O1
InChIInChI=1S/C20H34O7/c1-11(21)9-15-5-8-18(26-15)14(4)20(24)25-12(2)10-16-6-7-17(27-16)13(3)19(22)23/h11-18,21H,5-10H2,1-4H3,(H,22,23)
InChIKeyVIHRKOVEWCGJQP-UHFFFAOYSA-N
XLogP2.53
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid?
The IUPAC name of 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid (CID 23815283) is 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid is CC(O)CC1CCC(C(C)C(=O)OC(C)CC2CCC(C(C)C(=O)O)O2)O1.
What is the InChIKey of 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid?
The InChIKey is VIHRKOVEWCGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O7/c1-11(21)9-15-5-8-18(26-15)14(4)20(24)25-12(2)10-16-6-7-17(27-16)13(3)19(22)23/h11-18,21H,5-10H2,1-4H3,(H,22,23).
What are the key properties of 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid?
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid has a molecular weight of 386.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 23815283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).