5,5-bis(prop-2-enyl)-1,3-dioxan-2-one

C10H14O3 — CID 54525893

IUPAC5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
SMILESC=CCC1(CC=C)COC(=O)OC1
InChIInChI=1S/C10H14O3/c1-3-5-10(6-4-2)7-12-9(11)13-8-10/h3-4H,1-2,5-8H2
InChIKeyKLKVHTMBFOGYLF-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.29
Rot. Bonds4

About 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one

5,5-bis(prop-2-enyl)-1,3-dioxan-2-one (PubChem CID 54525893) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one.

Molecular Properties

Compound Name5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
PubChem CID54525893
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5,5-bis(prop-2-enyl)-1,3-dioxan-2-one
SMILESC=CCC1(CC=C)COC(=O)OC1
InChIInChI=1S/C10H14O3/c1-3-5-10(6-4-2)7-12-9(11)13-8-10/h3-4H,1-2,5-8H2
InChIKeyKLKVHTMBFOGYLF-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
CID 122397635
4,4-dimethyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 71380521
3-ethyl-3-prop-2-enyloxetane
CID 68640910
(4S)-4-but-3-enyl-4-methyl-1,3-dioxolan-2-one
CID 11829682
4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
CID 10986484
5,7-dioxaspiro[2.5]octan-6-one
CID 59701127
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl N-methyl-N-prop-2-enoylcarbamate
CID 166063146
3,5-dimethyl-3-prop-2-enyloxolane-2,4-dione
CID 14636614
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one?
The IUPAC name of 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one (CID 54525893) is 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one.
What is the SMILES notation for 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one?
The canonical SMILES for 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one is C=CCC1(CC=C)COC(=O)OC1.
What is the InChIKey of 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one?
The InChIKey is KLKVHTMBFOGYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-10(6-4-2)7-12-9(11)13-8-10/h3-4H,1-2,5-8H2.
What are the key properties of 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one?
5,5-bis(prop-2-enyl)-1,3-dioxan-2-one has a molecular weight of 182.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-2-enyl)-1,3-dioxan-2-one is sourced from PubChem (CID 54525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).