(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane

C13H18O3 — CID 10944055

IUPAC(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)OC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m1/s1
InChIKeyDBFDSKSLTCMIPB-GFCCVEGCSA-N
MW222.28 g/mol
LogP2.35
Rot. Bonds4

About (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane

(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 10944055) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID10944055
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)OC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m1/s1
InChIKeyDBFDSKSLTCMIPB-GFCCVEGCSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane (CID 10944055) is (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane is CC1(C)OC[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is DBFDSKSLTCMIPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
(4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.35, 4 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-(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 10944055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).