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

C18H24O5S — CID 603717

IUPAC6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OCC(C2OC(Sc3ccccc3)C3OC(C)(C)OC23)O1
InChIInChI=1S/C18H24O5S/c1-17(2)19-10-12(21-17)13-14-15(23-18(3,4)22-14)16(20-13)24-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3
InChIKeyYLWWDUNGLIZGHD-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.18
Rot. Bonds3

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

6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 603717) has the molecular formula C18H24O5S and a molecular weight of 352.45 g/mol. Its IUPAC name is 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID603717
Molecular FormulaC18H24O5S
Molecular Weight352.45 g/mol
Exact Mass352.13
IUPAC Name6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OCC(C2OC(Sc3ccccc3)C3OC(C)(C)OC23)O1
InChIInChI=1S/C18H24O5S/c1-17(2)19-10-12(21-17)13-14-15(23-18(3,4)22-14)16(20-13)24-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3
InChIKeyYLWWDUNGLIZGHD-UHFFFAOYSA-N
XLogP3.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 603717) is 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC1(C)OCC(C2OC(Sc3ccccc3)C3OC(C)(C)OC23)O1.
What is the InChIKey of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is YLWWDUNGLIZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5S/c1-17(2)19-10-12(21-17)13-14-15(23-18(3,4)22-14)16(20-13)24-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3.
What are the key properties of 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 352.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-phenylsulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 603717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).