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

C14H20O2 — CID 134967526

IUPAC(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
SMILESCC(C)C[C@H]1OC[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C14H20O2/c1-11(2)9-13-15-10-14(3,16-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyJHMPAWZQFYXSAP-KBPBESRZSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds3

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

(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane (PubChem CID 134967526) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
PubChem CID134967526
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
SMILESCC(C)C[C@H]1OC[C@@](C)(c2ccccc2)O1
InChIInChI=1S/C14H20O2/c1-11(2)9-13-15-10-14(3,16-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyJHMPAWZQFYXSAP-KBPBESRZSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane?
The IUPAC name of (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane (CID 134967526) is (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane.
What is the SMILES notation for (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane?
The canonical SMILES for (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane is CC(C)C[C@H]1OC[C@@](C)(c2ccccc2)O1.
What is the InChIKey of (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane?
The InChIKey is JHMPAWZQFYXSAP-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)9-13-15-10-14(3,16-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane?
(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane has a molecular weight of 220.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 134967526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).