2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole

C13H16O3 — CID 141089313

IUPAC2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
SMILESCC1(C)OC=C(COCc2ccccc2)O1
InChIInChI=1S/C13H16O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyNFLBUVZVERICEM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds4

About 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole

2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole (PubChem CID 141089313) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
PubChem CID141089313
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
SMILESCC1(C)OC=C(COCc2ccccc2)O1
InChIInChI=1S/C13H16O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyNFLBUVZVERICEM-UHFFFAOYSA-N
XLogP2.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90943549
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethoxymethyl]-1,3-dioxole
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4-(iodomethyl)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxole
CID 141198603
CID 66734377
CID 66734377
3-benzylsulfanyl-5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-1,2,4-thiadiazole
CID 141087758
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
4-(1-fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
CID 154637590
1-cyclopropyl-2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]ethanone
CID 141401252
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole?
The IUPAC name of 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole (CID 141089313) is 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole.
What is the SMILES notation for 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole?
The canonical SMILES for 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole is CC1(C)OC=C(COCc2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole?
The InChIKey is NFLBUVZVERICEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole?
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole has a molecular weight of 220.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole is sourced from PubChem (CID 141089313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).