(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane

C10H18O3 — CID 134854800

IUPAC(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
SMILESCCC1(CC)OC[C@@H](C[C@H]2CO2)O1
InChIInChI=1S/C10H18O3/c1-3-10(4-2)12-7-9(13-10)5-8-6-11-8/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyMOBVFYLPZYGBHQ-DTWKUNHWSA-N
MW186.25 g/mol
LogP1.71
Rot. Bonds4

About (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane

(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane (PubChem CID 134854800) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
PubChem CID134854800
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
SMILESCCC1(CC)OC[C@@H](C[C@H]2CO2)O1
InChIInChI=1S/C10H18O3/c1-3-10(4-2)12-7-9(13-10)5-8-6-11-8/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyMOBVFYLPZYGBHQ-DTWKUNHWSA-N
XLogP1.71
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane (CID 134854800) is (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane is CCC1(CC)OC[C@@H](C[C@H]2CO2)O1.
What is the InChIKey of (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The InChIKey is MOBVFYLPZYGBHQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(4-2)12-7-9(13-10)5-8-6-11-8/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
(4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-diethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane is sourced from PubChem (CID 134854800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).