4-methyl-2-(2-phenylpropyl)-1,3-dioxolane

C13H18O2 — CID 2828528

IUPAC4-methyl-2-(2-phenylpropyl)-1,3-dioxolane
SMILESCC1COC(CC(C)c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-10(12-6-4-3-5-7-12)8-13-14-9-11(2)15-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyJVVKHPVHCMSPGX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.94
Rot. Bonds3

About 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane

4-methyl-2-(2-phenylpropyl)-1,3-dioxolane (PubChem CID 2828528) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpropyl)-1,3-dioxolane
PubChem CID2828528
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-methyl-2-(2-phenylpropyl)-1,3-dioxolane
SMILESCC1COC(CC(C)c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-10(12-6-4-3-5-7-12)8-13-14-9-11(2)15-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyJVVKHPVHCMSPGX-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane?
The IUPAC name of 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane (CID 2828528) is 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane is CC1COC(CC(C)c2ccccc2)O1.
What is the InChIKey of 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane?
The InChIKey is JVVKHPVHCMSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(12-6-4-3-5-7-12)8-13-14-9-11(2)15-13/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane?
4-methyl-2-(2-phenylpropyl)-1,3-dioxolane has a molecular weight of 206.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane is sourced from PubChem (CID 2828528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).