methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate

C10H16O2S — CID 13349220

IUPACmethyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)C1(C)CC1(SC)C(=O)OC
InChIInChI=1S/C10H16O2S/c1-7(2)9(3)6-10(9,13-5)8(11)12-4/h1,6H2,2-5H3
InChIKeyDUPGHVXKRSUJPA-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate

methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate (PubChem CID 13349220) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
PubChem CID13349220
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Namemethyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
SMILESC=C(C)C1(C)CC1(SC)C(=O)OC
InChIInChI=1S/C10H16O2S/c1-7(2)9(3)6-10(9,13-5)8(11)12-4/h1,6H2,2-5H3
InChIKeyDUPGHVXKRSUJPA-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-4-tert-butyl-2,2-dimethyl-3H-thiophene-3-carboxylate
CID 134996213
Methyl 2-(4-tert-butyl-2,3-dihydrothiophen-3-yl)acetate
CID 13351270
methyl (3S)-5-methyl-4-methylidene-3-(2-methylsulfanylethyl)hexanoate
CID 58226564
Methyl 5-methyl-4-methylidene-3-(2-methylsulfanylethyl)hexanoate
CID 58226596
methyl (3R)-5-methyl-4-methylidene-3-(2-methylsulfanylethyl)hexanoate
CID 58226656
methyl 2-[(1R,5R,6R)-6-methyl-2-thiabicyclo[3.1.0]hex-3-en-6-yl]acetate
CID 66908462
Methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate
CID 130374981
trans-ethyl (1R,2R)-1,2-dimethyl-2-[(Z)-1-methylsulfanylprop-1-en-2-yl]cyclopropane-1-carboxylate
CID 10656988
trans-ethyl (1R,2R)-1,2-dimethyl-2-[(E)-1-methylsulfanylprop-1-en-2-yl]cyclopropane-1-carboxylate
CID 15778625
Methyl 2-[1-(2-methylidenebutylsulfanylmethyl)cyclopropyl]acetate
CID 107775922
Methyl 2-[1-(3-methylbut-3-enylsulfanylmethyl)cyclopropyl]acetate
CID 107776296
methyl (3S)-5-methyl-4-methylidene-3-(1-methylsulfanylpropan-2-yl)hexanoate
CID 157498514

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate (CID 13349220) is methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate is C=C(C)C1(C)CC1(SC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
The InChIKey is DUPGHVXKRSUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(2)9(3)6-10(9,13-5)8(11)12-4/h1,6H2,2-5H3.
What are the key properties of methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate?
methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-methylsulfanyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 13349220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).