5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole

C24H30O6 — CID 170168221

IUPAC5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCOCC1(COCc2ccccc2)CC2OC(C)(C)OC2(OCc2ccccc2)O1
InChIInChI=1S/C24H30O6/c1-22(2)28-21-14-23(17-25-3,18-26-15-19-10-6-4-7-11-19)30-24(21,29-22)27-16-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3
InChIKeyXNLGWEWORXOJJS-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.03
Rot. Bonds9

About 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole

5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 170168221) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID170168221
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCOCC1(COCc2ccccc2)CC2OC(C)(C)OC2(OCc2ccccc2)O1
InChIInChI=1S/C24H30O6/c1-22(2)28-21-14-23(17-25-3,18-26-15-19-10-6-4-7-11-19)30-24(21,29-22)27-16-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3
InChIKeyXNLGWEWORXOJJS-UHFFFAOYSA-N
XLogP4.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

(3aS,4S,6aS)-2,2-dimethyl-3a-(phenylmethoxymethyl)-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-amine
CID 57053674
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a-(phenylmethoxymethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11269526
[(4R,5S)-2,2,5-trimethyl-5-(3-phenylmethoxypropyl)-1,3-dioxolan-4-yl]methanol
CID 10968408
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611
(1R,5S)-4,4-dimethyl-1-(3-phenylmethoxypropyl)-2,3,8-trioxabicyclo[3.2.1]octane
CID 102280446
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 123802653
(1R,4S,5S,6S)-8,8-dimethyl-2-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-ol
CID 59680938

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 170168221) is 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole is COCC1(COCc2ccccc2)CC2OC(C)(C)OC2(OCc2ccccc2)O1.
What is the InChIKey of 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is XNLGWEWORXOJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-22(2)28-21-14-23(17-25-3,18-26-15-19-10-6-4-7-11-19)30-24(21,29-22)27-16-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole?
5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 414.50 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2,2-dimethyl-3a-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 170168221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).