4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate

C15H26O4 — CID 91694906

IUPAC4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OC(CC)C(C)C
InChIInChI=1S/C15H26O4/c1-5-7-8-11-18-14(16)9-10-15(17)19-13(6-2)12(3)4/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyFEWJBMWBGKBODE-FPLPWBNLSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds9

About 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate

4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate (PubChem CID 91694906) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate.

Molecular Properties

Compound Name4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate
PubChem CID91694906
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate
SMILESCC/C=C\COC(=O)CCC(=O)OC(CC)C(C)C
InChIInChI=1S/C15H26O4/c1-5-7-8-11-18-14(16)9-10-15(17)19-13(6-2)12(3)4/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyFEWJBMWBGKBODE-FPLPWBNLSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The IUPAC name of 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate (CID 91694906) is 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate.
What is the SMILES notation for 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The canonical SMILES for 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate is CC/C=C\COC(=O)CCC(=O)OC(CC)C(C)C.
What is the InChIKey of 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate?
The InChIKey is FEWJBMWBGKBODE-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-7-8-11-18-14(16)9-10-15(17)19-13(6-2)12(3)4/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-.
What are the key properties of 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate?
4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-methylpentan-3-yl) 1-O-[(Z)-pent-2-enyl] butanedioate is sourced from PubChem (CID 91694906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).