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

C17H24O2S — CID 22042411

IUPAC2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(C2(CCSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C17H24O2S/c1-2-8-17(18-12-13-19-17)16(9-10-16)11-14-20-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
InChIKeyDGVFJVWJGDVZSN-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.49
Rot. Bonds7

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

2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane (PubChem CID 22042411) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane
PubChem CID22042411
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane
SMILESCCCC1(C2(CCSc3ccccc3)CC2)OCCO1
InChIInChI=1S/C17H24O2S/c1-2-8-17(18-12-13-19-17)16(9-10-16)11-14-20-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
InChIKeyDGVFJVWJGDVZSN-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane?
The IUPAC name of 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane (CID 22042411) is 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane is CCCC1(C2(CCSc3ccccc3)CC2)OCCO1.
What is the InChIKey of 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane?
The InChIKey is DGVFJVWJGDVZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-2-8-17(18-12-13-19-17)16(9-10-16)11-14-20-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3.
What are the key properties of 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane?
2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane has a molecular weight of 292.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylsulfanylethyl)cyclopropyl]-2-propyl-1,3-dioxolane is sourced from PubChem (CID 22042411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).