methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate

C15H26O4S — CID 107777921

IUPACmethyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H26O4S/c1-13(2)8-11(14(3,4)19-13)20(17)10-15(6-7-15)9-12(16)18-5/h11H,6-10H2,1-5H3
InChIKeySONWOKQLSBBLLV-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.42
Rot. Bonds5

About methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777921) has the molecular formula C15H26O4S and a molecular weight of 302.44 g/mol. Its IUPAC name is methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate
PubChem CID107777921
Molecular FormulaC15H26O4S
Molecular Weight302.44 g/mol
Exact Mass302.16
IUPAC Namemethyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C15H26O4S/c1-13(2)8-11(14(3,4)19-13)20(17)10-15(6-7-15)9-12(16)18-5/h11H,6-10H2,1-5H3
InChIKeySONWOKQLSBBLLV-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate (CID 107777921) is methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate?
The InChIKey is SONWOKQLSBBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4S/c1-13(2)8-11(14(3,4)19-13)20(17)10-15(6-7-15)9-12(16)18-5/h11H,6-10H2,1-5H3.
What are the key properties of methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate has a molecular weight of 302.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).