4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane

C9H16O2 — CID 11970580

IUPAC4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane
SMILESCC/C=C(\C)C1OCC(C)O1
InChIInChI=1S/C9H16O2/c1-4-5-7(2)9-10-6-8(3)11-9/h5,8-9H,4,6H2,1-3H3/b7-5+
InChIKeyUAGVSTISKXJXEM-FNORWQNLSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds2

About 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane

4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane (PubChem CID 11970580) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane
PubChem CID11970580
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane
SMILESCC/C=C(\C)C1OCC(C)O1
InChIInChI=1S/C9H16O2/c1-4-5-7(2)9-10-6-8(3)11-9/h5,8-9H,4,6H2,1-3H3/b7-5+
InChIKeyUAGVSTISKXJXEM-FNORWQNLSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane?
The IUPAC name of 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane (CID 11970580) is 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane is CC/C=C(\C)C1OCC(C)O1.
What is the InChIKey of 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane?
The InChIKey is UAGVSTISKXJXEM-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-7(2)9-10-6-8(3)11-9/h5,8-9H,4,6H2,1-3H3/b7-5+.
What are the key properties of 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane?
4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane is sourced from PubChem (CID 11970580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).