2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione

C16H24O4 — CID 10755212

IUPAC2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione
SMILESC/C=C(/C)CC1(C/C(C)=C\C)C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H24O4/c1-7-11(3)9-16(10-12(4)8-2)13(17)19-15(5,6)20-14(16)18/h7-8H,9-10H2,1-6H3/b11-7-,12-8-
InChIKeyDZLHQEOHFOKERB-OXAWKVHCSA-N
MW280.36 g/mol
LogP3.52
Rot. Bonds4

About 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione

2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione (PubChem CID 10755212) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione
PubChem CID10755212
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione
SMILESC/C=C(/C)CC1(C/C(C)=C\C)C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C16H24O4/c1-7-11(3)9-16(10-12(4)8-2)13(17)19-15(5,6)20-14(16)18/h7-8H,9-10H2,1-6H3/b11-7-,12-8-
InChIKeyDZLHQEOHFOKERB-OXAWKVHCSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.52
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 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione (CID 10755212) is 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione is C/C=C(/C)CC1(C/C(C)=C\C)C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione?
The InChIKey is DZLHQEOHFOKERB-OXAWKVHCSA-N. The full InChI is InChI=1S/C16H24O4/c1-7-11(3)9-16(10-12(4)8-2)13(17)19-15(5,6)20-14(16)18/h7-8H,9-10H2,1-6H3/b11-7-,12-8-.
What are the key properties of 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione has a molecular weight of 280.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-bis[(Z)-2-methylbut-2-enyl]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 10755212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).