5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one

C10H14O3 — CID 90181716

IUPAC5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one
SMILESC=CCC1(CC=C)OC(=O)OC1C
InChIInChI=1S/C10H14O3/c1-4-6-10(7-5-2)8(3)12-9(11)13-10/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZJKKXLKQOKASGE-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.43
Rot. Bonds4

About 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one

5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one (PubChem CID 90181716) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one
PubChem CID90181716
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one
SMILESC=CCC1(CC=C)OC(=O)OC1C
InChIInChI=1S/C10H14O3/c1-4-6-10(7-5-2)8(3)12-9(11)13-10/h4-5,8H,1-2,6-7H2,3H3
InChIKeyZJKKXLKQOKASGE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The IUPAC name of 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one (CID 90181716) is 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The canonical SMILES for 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one is C=CCC1(CC=C)OC(=O)OC1C.
What is the InChIKey of 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The InChIKey is ZJKKXLKQOKASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-6-10(7-5-2)8(3)12-9(11)13-10/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one?
5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one has a molecular weight of 182.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4-bis(prop-2-enyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 90181716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).