(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane

C10H18O3 — CID 40527655

IUPAC(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOC[C@H]1CO[C@@](C)(CC)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,9H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKeyZTSUTPAUKYZUKU-VHSXEESVSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds5

About (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane

(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane (PubChem CID 40527655) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
PubChem CID40527655
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
SMILESC=CCOC[C@H]1CO[C@@](C)(CC)O1
InChIInChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,9H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKeyZTSUTPAUKYZUKU-VHSXEESVSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The IUPAC name of (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane (CID 40527655) is (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane is C=CCOC[C@H]1CO[C@@](C)(CC)O1.
What is the InChIKey of (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
The InChIKey is ZTSUTPAUKYZUKU-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-11-7-9-8-12-10(3,5-2)13-9/h4,9H,1,5-8H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane?
(2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-ethyl-2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 40527655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).