4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one

C8H12O4 — CID 139625615

IUPAC4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
SMILESCC=COCC1(C)COC(=O)O1
InChIInChI=1S/C8H12O4/c1-3-4-10-5-8(2)6-11-7(9)12-8/h3-4H,5-6H2,1-2H3
InChIKeyVKLZOOMBCBAHRI-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.46
Rot. Bonds3

About 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one

4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one (PubChem CID 139625615) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
PubChem CID139625615
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
SMILESCC=COCC1(C)COC(=O)O1
InChIInChI=1S/C8H12O4/c1-3-4-10-5-8(2)6-11-7(9)12-8/h3-4H,5-6H2,1-2H3
InChIKeyVKLZOOMBCBAHRI-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-but-3-enyl-4-methyl-1,3-dioxolan-2-one
CID 11829682
(4-methyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-iodo-2-methylbutanoate
CID 129121892
2,4-dimethyl-2-(2-methylpropyl)-4-(prop-1-enoxymethyl)-1,3-dioxolane;2-ethyl-2,4-dimethyl-4-(prop-1-enoxymethyl)-1,3-dioxolane
CID 158988815
5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
CID 14071555
(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
CID 147022523
4-phenyl-4-prop-1-enyl-1,3-dioxolan-2-one
CID 171904736
4,4-ditert-butyl-1,3-dioxolan-2-one
CID 59942377
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl carbonochloridate
CID 58498495
7,7-dimethyl-1,3,5-trioxocane-2,4-dione
CID 88770359
4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
CID 10986484
methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid
CID 160909748
5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one
CID 166060650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one (CID 139625615) is 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one is CC=COCC1(C)COC(=O)O1.
What is the InChIKey of 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is VKLZOOMBCBAHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-4-10-5-8(2)6-11-7(9)12-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 172.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 139625615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).