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

C8H14O3 — CID 10942724

IUPAC(4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](C[C@H]2CO2)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-5-7(11-8)3-6-4-9-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHHWOJKKUXFEPSG-BQBZGAKWSA-N
MW158.20 g/mol
LogP0.93
Rot. Bonds2

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

(4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane (PubChem CID 10942724) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
PubChem CID10942724
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](C[C@H]2CO2)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-5-7(11-8)3-6-4-9-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHHWOJKKUXFEPSG-BQBZGAKWSA-N
XLogP0.93
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.93
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 (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane (CID 10942724) is (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane is CC1(C)OC[C@H](C[C@H]2CO2)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
The InChIKey is HHWOJKKUXFEPSG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)10-5-7(11-8)3-6-4-9-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane has a molecular weight of 158.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[[(2S)-oxiran-2-yl]methyl]-1,3-dioxolane is sourced from PubChem (CID 10942724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).