2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane

C15H20O2S — CID 22042388

IUPAC2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane
SMILESCC1(C2(CCSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C15H20O2S/c1-14(16-10-11-17-14)15(7-8-15)9-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyCFWPHCQAQDURGX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane

2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane (PubChem CID 22042388) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane
PubChem CID22042388
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane
SMILESCC1(C2(CCSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C15H20O2S/c1-14(16-10-11-17-14)15(7-8-15)9-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyCFWPHCQAQDURGX-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane (CID 22042388) is 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane is CC1(C2(CCSc3ccccc3)CC2)OCCO1.
What is the InChIKey of 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane?
The InChIKey is CFWPHCQAQDURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-14(16-10-11-17-14)15(7-8-15)9-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane?
2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane has a molecular weight of 264.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2-phenylsulfanylethyl)cyclopropyl]-1,3-dioxolane is sourced from PubChem (CID 22042388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).