(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one

C7H10O3 — CID 100946661

IUPAC(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one
SMILESC=C[C@]1(C)COC(=O)CO1
InChIInChI=1S/C7H10O3/c1-3-7(2)5-9-6(8)4-10-7/h3H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyBBRIPQHMLKCWAE-SSDOTTSWSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

About (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one

(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one (PubChem CID 100946661) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one
PubChem CID100946661
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one
SMILESC=C[C@]1(C)COC(=O)CO1
InChIInChI=1S/C7H10O3/c1-3-7(2)5-9-6(8)4-10-7/h3H,1,4-5H2,2H3/t7-/m1/s1
InChIKeyBBRIPQHMLKCWAE-SSDOTTSWSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one?
The IUPAC name of (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one (CID 100946661) is (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one.
What is the SMILES notation for (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one?
The canonical SMILES for (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one is C=C[C@]1(C)COC(=O)CO1.
What is the InChIKey of (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one?
The InChIKey is BBRIPQHMLKCWAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-7(2)5-9-6(8)4-10-7/h3H,1,4-5H2,2H3/t7-/m1/s1.
What are the key properties of (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one?
(5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-5-methyl-1,4-dioxan-2-one is sourced from PubChem (CID 100946661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).