2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione

C19H24O4 — CID 102151545

IUPAC2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione
SMILESCC(C)C(C[C@@H](C)c1ccccc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C19H24O4/c1-12(2)15(11-13(3)14-9-7-6-8-10-14)16-17(20)22-19(4,5)23-18(16)21/h6-10,12-13H,11H2,1-5H3/t13-/m1/s1
InChIKeyKSPPKKJRYZPHGA-CYBMUJFWSA-N
MW316.40 g/mol
LogP3.97
Rot. Bonds4

About 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione (PubChem CID 102151545) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione
PubChem CID102151545
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione
SMILESCC(C)C(C[C@@H](C)c1ccccc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C19H24O4/c1-12(2)15(11-13(3)14-9-7-6-8-10-14)16-17(20)22-19(4,5)23-18(16)21/h6-10,12-13H,11H2,1-5H3/t13-/m1/s1
InChIKeyKSPPKKJRYZPHGA-CYBMUJFWSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione (CID 102151545) is 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione is CC(C)C(C[C@@H](C)c1ccccc1)=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione?
The InChIKey is KSPPKKJRYZPHGA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24O4/c1-12(2)15(11-13(3)14-9-7-6-8-10-14)16-17(20)22-19(4,5)23-18(16)21/h6-10,12-13H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione has a molecular weight of 316.40 g/mol, XLogP of 3.97, 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-[(5R)-2-methyl-5-phenylhexan-3-ylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 102151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).