4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane

C8H14O2 — CID 121384212

IUPAC4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OC(C)C(C)O1
InChIInChI=1S/C8H14O2/c1-5(2)8-9-6(3)7(4)10-8/h6-8H,1H2,2-4H3
InChIKeyAGNWKELKRBKPPL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds1

About 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane

4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 121384212) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID121384212
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OC(C)C(C)O1
InChIInChI=1S/C8H14O2/c1-5(2)8-9-6(3)7(4)10-8/h6-8H,1H2,2-4H3
InChIKeyAGNWKELKRBKPPL-UHFFFAOYSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane (CID 121384212) is 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1OC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is AGNWKELKRBKPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)8-9-6(3)7(4)10-8/h6-8H,1H2,2-4H3.
What are the key properties of 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane?
4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 121384212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).