methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate

C15H26O3S — CID 107777842

IUPACmethyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
SMILESCCC1CCCCC1S(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C15H26O3S/c1-3-12-6-4-5-7-13(12)19(17)11-15(8-9-15)10-14(16)18-2/h12-13H,3-11H2,1-2H3
InChIKeyWLBAUSBTMPASNI-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.05
Rot. Bonds6

About methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate (PubChem CID 107777842) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
PubChem CID107777842
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate
SMILESCCC1CCCCC1S(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C15H26O3S/c1-3-12-6-4-5-7-13(12)19(17)11-15(8-9-15)10-14(16)18-2/h12-13H,3-11H2,1-2H3
InChIKeyWLBAUSBTMPASNI-UHFFFAOYSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(cyclopentylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777736
methyl 2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]acetate
CID 107777841
methyl 2-[1-[2-(diethylamino)ethylsulfinylmethyl]cyclopropyl]acetate
CID 107777806
methyl 2-[1-[[2-(cyclopropylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetate
CID 114000414
methyl 2-[1-(2-methylpropylsulfinylmethyl)cyclopropyl]acetate
CID 107777928
methyl 2-[1-(heptylsulfinylmethyl)cyclopropyl]acetate
CID 107777793
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-[1-(2-methylsulfonylethylsulfinylmethyl)cyclopropyl]acetate
CID 107777735
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
methyl 2-[1-(ethylamino)-2,3-dimethylcyclohexyl]acetate
CID 65235186

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate (CID 107777842) is methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate is CCC1CCCCC1S(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate?
The InChIKey is WLBAUSBTMPASNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-3-12-6-4-5-7-13(12)19(17)11-15(8-9-15)10-14(16)18-2/h12-13H,3-11H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate has a molecular weight of 286.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-ethylcyclohexyl)sulfinylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).