dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate

C14H26O6 — CID 103972664

IUPACdipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
SMILESCOCCOCCC(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H26O6/c1-10(2)19-13(15)12(14(16)20-11(3)4)6-7-18-9-8-17-5/h10-12H,6-9H2,1-5H3
InChIKeySLCUGTHZUSFZHN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds10

About dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate

dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate (PubChem CID 103972664) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
PubChem CID103972664
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namedipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
SMILESCOCCOCCC(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H26O6/c1-10(2)19-13(15)12(14(16)20-11(3)4)6-7-18-9-8-17-5/h10-12H,6-9H2,1-5H3
InChIKeySLCUGTHZUSFZHN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
CID 116500640
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
dipropan-2-yl 2-(3,3,3-trifluoropropyl)propanedioate
CID 113360241
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
CID 101278893
dipropan-2-yl 2-octylpropanedioate
CID 18370785
2-(2-methoxyethyl)propanediamide
CID 143013500
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate?
The IUPAC name of dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate (CID 103972664) is dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate.
What is the SMILES notation for dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate?
The canonical SMILES for dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate is COCCOCCC(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate?
The InChIKey is SLCUGTHZUSFZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-10(2)19-13(15)12(14(16)20-11(3)4)6-7-18-9-8-17-5/h10-12H,6-9H2,1-5H3.
What are the key properties of dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate?
dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate 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 dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate is sourced from PubChem (CID 103972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).