dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate

C14H26O5 — CID 116500640

IUPACdipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
SMILESCOCCC(C)C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H26O5/c1-9(2)18-13(15)12(11(5)7-8-17-6)14(16)19-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyJANIZJNSRGGMNJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds8

About dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate

dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate (PubChem CID 116500640) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
PubChem CID116500640
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namedipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
SMILESCOCCC(C)C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H26O5/c1-9(2)18-13(15)12(11(5)7-8-17-6)14(16)19-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyJANIZJNSRGGMNJ-UHFFFAOYSA-N
XLogP2.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipropan-2-yl 2-[2-(2-methoxyethoxy)ethyl]propanedioate
CID 103972664
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
dipropan-2-yl 2-(3-hydroxybutan-2-yl)propanedioate
CID 113360243
2-(2-methoxyethyl)propanediamide
CID 143013500
(3-hydroxy-5-methoxy-2-methylpentyl) acetate
CID 174394397
4-methoxybutan-2-yl propanoate
CID 145115324
bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
azane;4-methoxy-2-methylbutanoic acid
CID 174560200

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate?
The IUPAC name of dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate (CID 116500640) is dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate.
What is the SMILES notation for dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate?
The canonical SMILES for dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate is COCCC(C)C(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate?
The InChIKey is JANIZJNSRGGMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-9(2)18-13(15)12(11(5)7-8-17-6)14(16)19-10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate?
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate has a molecular weight of 274.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate is sourced from PubChem (CID 116500640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).