bis(2-methoxypropyl) 2-propylpropanedioate

C14H26O6 — CID 101278730

IUPACbis(2-methoxypropyl) 2-propylpropanedioate
SMILESCCCC(C(=O)OCC(C)OC)C(=O)OCC(C)OC
InChIInChI=1S/C14H26O6/c1-6-7-12(13(15)19-8-10(2)17-4)14(16)20-9-11(3)18-5/h10-12H,6-9H2,1-5H3
InChIKeyLPZINXGEJXUGTA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds10

About bis(2-methoxypropyl) 2-propylpropanedioate

bis(2-methoxypropyl) 2-propylpropanedioate (PubChem CID 101278730) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is bis(2-methoxypropyl) 2-propylpropanedioate.

Molecular Properties

Compound Namebis(2-methoxypropyl) 2-propylpropanedioate
PubChem CID101278730
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namebis(2-methoxypropyl) 2-propylpropanedioate
SMILESCCCC(C(=O)OCC(C)OC)C(=O)OCC(C)OC
InChIInChI=1S/C14H26O6/c1-6-7-12(13(15)19-8-10(2)17-4)14(16)20-9-11(3)18-5/h10-12H,6-9H2,1-5H3
InChIKeyLPZINXGEJXUGTA-UHFFFAOYSA-N
XLogP1.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
butyl 2-methoxypropyl carbonate
CID 87247456
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
2-methylpropyl 2-sulfanylpentanoate
CID 87341273
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398
ethyl 2-ethylperoxycarbonylpentanoate
CID 174863667
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700
1,2-dimethoxypropane;ethyl propanoate
CID 160979574
4-(2-methoxypropoxy)-4-oxobut-2-enoic acid
CID 54339045
bis(but-3-ynyl) 2-propylpropanedioate
CID 130209983
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxypropyl) 2-propylpropanedioate?
The IUPAC name of bis(2-methoxypropyl) 2-propylpropanedioate (CID 101278730) is bis(2-methoxypropyl) 2-propylpropanedioate.
What is the SMILES notation for bis(2-methoxypropyl) 2-propylpropanedioate?
The canonical SMILES for bis(2-methoxypropyl) 2-propylpropanedioate is CCCC(C(=O)OCC(C)OC)C(=O)OCC(C)OC.
What is the InChIKey of bis(2-methoxypropyl) 2-propylpropanedioate?
The InChIKey is LPZINXGEJXUGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-6-7-12(13(15)19-8-10(2)17-4)14(16)20-9-11(3)18-5/h10-12H,6-9H2,1-5H3.
What are the key properties of bis(2-methoxypropyl) 2-propylpropanedioate?
bis(2-methoxypropyl) 2-propylpropanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxypropyl) 2-propylpropanedioate is sourced from PubChem (CID 101278730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).