(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane

C9H16O2 — CID 89178991

IUPAC(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESC=C[C@H]1CO[C@@H](CC(C)C)O1
InChIInChI=1S/C9H16O2/c1-4-8-6-10-9(11-8)5-7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m0/s1
InChIKeyZRCNQOQRGRGSHJ-DTWKUNHWSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane

(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 89178991) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID89178991
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESC=C[C@H]1CO[C@@H](CC(C)C)O1
InChIInChI=1S/C9H16O2/c1-4-8-6-10-9(11-8)5-7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m0/s1
InChIKeyZRCNQOQRGRGSHJ-DTWKUNHWSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
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 (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane (CID 89178991) is (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane is C=C[C@H]1CO[C@@H](CC(C)C)O1.
What is the InChIKey of (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is ZRCNQOQRGRGSHJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-6-10-9(11-8)5-7(2)3/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane?
(2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethenyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 89178991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).