methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate

C14H24O3S — CID 107776136

IUPACmethyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H24O3S/c1-13(2)5-4-11(17-13)9-18-10-14(6-7-14)8-12(15)16-3/h11H,4-10H2,1-3H3
InChIKeyNOUHSXKOOWPXPX-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.02
Rot. Bonds6

About methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate (PubChem CID 107776136) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
PubChem CID107776136
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCC2CCC(C)(C)O2)CC1
InChIInChI=1S/C14H24O3S/c1-13(2)5-4-11(17-13)9-18-10-14(6-7-14)8-12(15)16-3/h11H,4-10H2,1-3H3
InChIKeyNOUHSXKOOWPXPX-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-[(2-cyclopropyl-2-oxoethyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777664
methyl 2-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107775955
methyl 2-[1-(2-fluoroethylsulfanylmethyl)cyclopropyl]acetate
CID 107776396
methyl 2-[1-(2-oxoethylsulfanylmethyl)cyclopropyl]acetate
CID 107777676
methyl 2-[1-[(2-amino-2-cyclopropylethyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778479
methyl 2-[1-[(2-hydroxy-2-methylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107775920
methyl 2-[1-(3-methylbutylsulfanylmethyl)cyclopropyl]acetate
CID 107775963
3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 116520691
methyl 2-[1-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107776041
methyl 2-[1-(3-oxopropylsulfanylmethyl)cyclopropyl]acetate
CID 107777659
methyl 2-[1-[(3-methyl-2-oxopentyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777726
methyl 2-[1-[[2-(cycloheptylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775985

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate (CID 107776136) is methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSCC2CCC(C)(C)O2)CC1.
What is the InChIKey of methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
The InChIKey is NOUHSXKOOWPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-13(2)5-4-11(17-13)9-18-10-14(6-7-14)8-12(15)16-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate has a molecular weight of 272.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(5,5-dimethyloxolan-2-yl)methylsulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).