2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C22H24O5 — CID 175617259

IUPAC2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESc1ccc(CC2OCC(C3CC4OC(Cc5ccccc5)OC4O3)O2)cc1
InChIInChI=1S/C22H24O5/c1-3-7-15(8-4-1)11-20-23-14-19(25-20)17-13-18-22(26-17)27-21(24-18)12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2
InChIKeyYAOSOCPQSJZUPJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.07
Rot. Bonds5

About 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 175617259) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID175617259
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESc1ccc(CC2OCC(C3CC4OC(Cc5ccccc5)OC4O3)O2)cc1
InChIInChI=1S/C22H24O5/c1-3-7-15(8-4-1)11-20-23-14-19(25-20)17-13-18-22(26-17)27-21(24-18)12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2
InChIKeyYAOSOCPQSJZUPJ-UHFFFAOYSA-N
XLogP3.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
CID 117169445
(1S,2S,3S,4R,5R)-4-(4-benzylpiperidin-1-yl)-2-(2-methylpropylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314470
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
CID 59041484
(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 67930816
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
4,11-dibenzyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carbaldehyde
CID 175617266
2-benzyl-1,3,5-dioxaphosphinane-4-carbaldehyde
CID 174691629
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
(2R,4R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 88623037
(1S,2S,4S,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 170910139
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 175617259) is 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is c1ccc(CC2OCC(C3CC4OC(Cc5ccccc5)OC4O3)O2)cc1.
What is the InChIKey of 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is YAOSOCPQSJZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-3-7-15(8-4-1)11-20-23-14-19(25-20)17-13-18-22(26-17)27-21(24-18)12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2.
What are the key properties of 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 368.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 175617259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).