dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate

C15H26O4 — CID 15529232

IUPACdipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate
SMILESC=C(C)CCCC(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H26O4/c1-10(2)8-7-9-13(14(16)18-11(3)4)15(17)19-12(5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyRZKLKSDZSLUAPQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds8

About dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate

dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate (PubChem CID 15529232) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate
PubChem CID15529232
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namedipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate
SMILESC=C(C)CCCC(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H26O4/c1-10(2)8-7-9-13(14(16)18-11(3)4)15(17)19-12(5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyRZKLKSDZSLUAPQ-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate?
The IUPAC name of dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate (CID 15529232) is dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate.
What is the SMILES notation for dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate?
The canonical SMILES for dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate is C=C(C)CCCC(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate?
The InChIKey is RZKLKSDZSLUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)8-7-9-13(14(16)18-11(3)4)15(17)19-12(5)6/h11-13H,1,7-9H2,2-6H3.
What are the key properties of dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate?
dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-(4-methylpent-4-enyl)propanedioate is sourced from PubChem (CID 15529232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).