2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane

C20H22O4S2 — CID 15223593

IUPAC2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane
SMILESCC1(c2ccc(SSc3ccc(C4(C)OCCO4)cc3)cc2)OCCO1
InChIInChI=1S/C20H22O4S2/c1-19(21-11-12-22-19)15-3-7-17(8-4-15)25-26-18-9-5-16(6-10-18)20(2)23-13-14-24-20/h3-10H,11-14H2,1-2H3
InChIKeyACTCGCBRLYKGSO-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.93
Rot. Bonds5

About 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane

2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane (PubChem CID 15223593) has the molecular formula C20H22O4S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane
PubChem CID15223593
Molecular FormulaC20H22O4S2
Molecular Weight390.53 g/mol
Exact Mass390.10
IUPAC Name2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane
SMILESCC1(c2ccc(SSc3ccc(C4(C)OCCO4)cc3)cc2)OCCO1
InChIInChI=1S/C20H22O4S2/c1-19(21-11-12-22-19)15-3-7-17(8-4-15)25-26-18-9-5-16(6-10-18)20(2)23-13-14-24-20/h3-10H,11-14H2,1-2H3
InChIKeyACTCGCBRLYKGSO-UHFFFAOYSA-N
XLogP4.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane (CID 15223593) is 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane is CC1(c2ccc(SSc3ccc(C4(C)OCCO4)cc3)cc2)OCCO1.
What is the InChIKey of 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane?
The InChIKey is ACTCGCBRLYKGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4S2/c1-19(21-11-12-22-19)15-3-7-17(8-4-15)25-26-18-9-5-16(6-10-18)20(2)23-13-14-24-20/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane?
2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane has a molecular weight of 390.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]disulfanyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 15223593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).