(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate

C10H18O2S — CID 20643704

IUPAC(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CC)CSC
InChIInChI=1S/C10H18O2S/c1-6-10(4,7-13-5)12-9(11)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyLDLIBCPMRCDFTI-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.64
Rot. Bonds5

About (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate

(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate (PubChem CID 20643704) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
PubChem CID20643704
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(CC)CSC
InChIInChI=1S/C10H18O2S/c1-6-10(4,7-13-5)12-9(11)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyLDLIBCPMRCDFTI-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
3-methylpentan-3-yl 2-methylidenebutanoate
CID 156770759
[1-(3-ethyl-1-hydroxypentan-3-yl)oxy-3-methylpentan-3-yl] 2-methylprop-2-enoate
CID 89265326
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
3-methylpentan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 102381313
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
CID 87307438
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate
CID 87364326

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate (CID 20643704) is (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(CC)CSC.
What is the InChIKey of (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate?
The InChIKey is LDLIBCPMRCDFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-6-10(4,7-13-5)12-9(11)8(2)3/h2,6-7H2,1,3-5H3.
What are the key properties of (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate?
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate has a molecular weight of 202.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 20643704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).