1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate

C13H26O5 — CID 19753420

IUPAC1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate
SMILESCCC(=O)OCOC(COC(C)C)COC(C)C
InChIInChI=1S/C13H26O5/c1-6-13(14)18-9-17-12(7-15-10(2)3)8-16-11(4)5/h10-12H,6-9H2,1-5H3
InChIKeyRGOKMQNQNIZKBY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.13
Rot. Bonds10

About 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate

1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate (PubChem CID 19753420) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate.

Molecular Properties

Compound Name1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate
PubChem CID19753420
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate
SMILESCCC(=O)OCOC(COC(C)C)COC(C)C
InChIInChI=1S/C13H26O5/c1-6-13(14)18-9-17-12(7-15-10(2)3)8-16-11(4)5/h10-12H,6-9H2,1-5H3
InChIKeyRGOKMQNQNIZKBY-UHFFFAOYSA-N
XLogP2.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-propanoyloxy-2-(propanoyloxymethoxy)propyl] propanoate
CID 10913266
propan-2-yloxymethyl butanoate
CID 87360583
potassium (2-ethoxy-3-propan-2-yloxypropoxy)methanethioic S-acid
CID 54601663
2,3-di(propan-2-yloxy)propoxymethyl acetate
CID 19748423
[hydroxy(2-methylpropoxy)phosphoryl]oxymethyl propanoate
CID 168729162
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
(2-methyl-3-oxobutyl) propanoate
CID 87670763
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
2,3-di(propanoyloxy)propyl 2-methylpropanoate
CID 121433991
ethyl (2S)-2-amino-3-propan-2-yloxypropanoate
CID 94053176
2-methylpropyl 3,4-di(propanoyloxy)butanoate
CID 139957342
2-cyanopropyl propanoate
CID 126994397

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate?
The IUPAC name of 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate (CID 19753420) is 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate.
What is the SMILES notation for 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate?
The canonical SMILES for 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate is CCC(=O)OCOC(COC(C)C)COC(C)C.
What is the InChIKey of 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate?
The InChIKey is RGOKMQNQNIZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-6-13(14)18-9-17-12(7-15-10(2)3)8-16-11(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate?
1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate has a molecular weight of 262.35 g/mol, XLogP of 2.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yloxy)propan-2-yloxymethyl propanoate is sourced from PubChem (CID 19753420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).