2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate

C18H32O4S2 — CID 59440684

IUPAC2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate
SMILESCSCC(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)CSC)CC1
InChIInChI=1S/C18H32O4S2/c1-17(2,21-15(19)11-23-5)13-7-9-14(10-8-13)18(3,4)22-16(20)12-24-6/h13-14H,7-12H2,1-6H3
InChIKeyUTCGZSGSRQCGKG-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.16
Rot. Bonds8

About 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate

2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate (PubChem CID 59440684) has the molecular formula C18H32O4S2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate.

Molecular Properties

Compound Name2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate
PubChem CID59440684
Molecular FormulaC18H32O4S2
Molecular Weight376.58 g/mol
Exact Mass376.17
IUPAC Name2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate
SMILESCSCC(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)CSC)CC1
InChIInChI=1S/C18H32O4S2/c1-17(2,21-15(19)11-23-5)13-7-9-14(10-8-13)18(3,4)22-16(20)12-24-6/h13-14H,7-12H2,1-6H3
InChIKeyUTCGZSGSRQCGKG-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate?
The IUPAC name of 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate (CID 59440684) is 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate.
What is the SMILES notation for 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate?
The canonical SMILES for 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate is CSCC(=O)OC(C)(C)C1CCC(C(C)(C)OC(=O)CSC)CC1.
What is the InChIKey of 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate?
The InChIKey is UTCGZSGSRQCGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4S2/c1-17(2,21-15(19)11-23-5)13-7-9-14(10-8-13)18(3,4)22-16(20)12-24-6/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate?
2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate has a molecular weight of 376.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylsulfanylacetyl)oxypropan-2-yl]cyclohexyl]propan-2-yl 2-methylsulfanylacetate is sourced from PubChem (CID 59440684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).