(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane

C11H14O2 — CID 50936913

IUPAC(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane
SMILESC[C@H]1CO[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyHVTGPXYNYDWJHK-GXSJLCMTSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds2

About (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane

(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane (PubChem CID 50936913) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane
PubChem CID50936913
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane
SMILESC[C@H]1CO[C@@H](Cc2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyHVTGPXYNYDWJHK-GXSJLCMTSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane?
The IUPAC name of (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane (CID 50936913) is (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane?
The canonical SMILES for (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane is C[C@H]1CO[C@@H](Cc2ccccc2)O1.
What is the InChIKey of (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane?
The InChIKey is HVTGPXYNYDWJHK-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane?
(2R,4S)-2-benzyl-4-methyl-1,3-dioxolane has a molecular weight of 178.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 50936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).