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

C9H16O3 — CID 11052111

IUPAC(4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C[C@@]2(C)CO2)O1
InChIInChI=1S/C9H16O3/c1-8(2)10-5-7(12-8)4-9(3)6-11-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyWVJJQOSJAAUQCN-APPZFPTMSA-N
MW172.22 g/mol
LogP1.32
Rot. Bonds2

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

(4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane (PubChem CID 11052111) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane
PubChem CID11052111
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C[C@@]2(C)CO2)O1
InChIInChI=1S/C9H16O3/c1-8(2)10-5-7(12-8)4-9(3)6-11-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyWVJJQOSJAAUQCN-APPZFPTMSA-N
XLogP1.32
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.32
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-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane (CID 11052111) is (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane is CC1(C)OC[C@@H](C[C@@]2(C)CO2)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane?
The InChIKey is WVJJQOSJAAUQCN-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)10-5-7(12-8)4-9(3)6-11-9/h7H,4-6H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane has a molecular weight of 172.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[[(2S)-2-methyloxiran-2-yl]methyl]-1,3-dioxolane is sourced from PubChem (CID 11052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).