4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene

C10H16O4 — CID 67527223

IUPAC4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene
SMILESCC1COC(=O)O1.CC=COC=CC
InChIInChI=1S/C6H10O.C4H6O3/c1-3-5-7-6-4-2;1-3-2-6-4(5)7-3/h3-6H,1-2H3;3H,2H2,1H3
InChIKeyCFBIJCTVJKLRCH-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.61
Rot. Bonds2

About 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene

4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene (PubChem CID 67527223) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene
PubChem CID67527223
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene
SMILESCC1COC(=O)O1.CC=COC=CC
InChIInChI=1S/C6H10O.C4H6O3/c1-3-5-7-6-4-2;1-3-2-6-4(5)7-3/h3-6H,1-2H3;3H,2H2,1H3
InChIKeyCFBIJCTVJKLRCH-UHFFFAOYSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene (CID 67527223) is 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene is CC1COC(=O)O1.CC=COC=CC.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene?
The InChIKey is CFBIJCTVJKLRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H6O3/c1-3-5-7-6-4-2;1-3-2-6-4(5)7-3/h3-6H,1-2H3;3H,2H2,1H3.
What are the key properties of 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene?
4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene has a molecular weight of 200.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;1-prop-1-enoxyprop-1-ene is sourced from PubChem (CID 67527223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).