ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate

C10H18O4S — CID 90195637

IUPACethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate
SMILESC=CCC[C@](C)(C(=O)OCC)S(C)(=O)=O
InChIInChI=1S/C10H18O4S/c1-5-7-8-10(3,15(4,12)13)9(11)14-6-2/h5H,1,6-8H2,2-4H3/t10-/m1/s1
InChIKeyBBWWFZWFWHKJHO-SNVBAGLBSA-N
MW234.32 g/mol
LogP1.32
Rot. Bonds6

About ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate

ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate (PubChem CID 90195637) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate
PubChem CID90195637
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate
SMILESC=CCC[C@](C)(C(=O)OCC)S(C)(=O)=O
InChIInChI=1S/C10H18O4S/c1-5-7-8-10(3,15(4,12)13)9(11)14-6-2/h5H,1,6-8H2,2-4H3/t10-/m1/s1
InChIKeyBBWWFZWFWHKJHO-SNVBAGLBSA-N
XLogP1.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate 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

2-methylpropyl 2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
CID 52542578
Ethyl 2-methyl-2-(methylsulfonyl)hex-5-enoate
CID 86709147
(2R)-2-methyl-2-methylsulfonylhex-5-enoic acid
CID 89928703
ethyl (E)-4-methyl-6-methylsulfonylhex-5-enoate
CID 90730944
ethyl (E)-5-ethylsulfonyl-3-methylpent-4-enoate
CID 90755340
ethyl (Z)-6-chloro-4-methyl-6-propan-2-ylsulfonylhex-5-enoate
CID 91061554
ethyl (Z)-6-chloro-6-ethylsulfonyl-4-methylhex-5-enoate
CID 91248013
ethyl (E)-4-methyl-6-propan-2-ylsulfonylhex-5-enoate
CID 91491092
Methyl 2-ethenyl-1-methylsulfonylcyclopropane-1-carboxylate
CID 118199297
Ethyl 2-methyl-2-methylsulfonylpent-4-enoate
CID 118469130
ethyl (2R)-2-methyl-2-methylsulfonylpent-4-enoate
CID 118478471
2-Methyl-2-methylsulfonylhex-5-enoic acid
CID 121417971

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate?
The IUPAC name of ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate (CID 90195637) is ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate.
What is the SMILES notation for ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate?
The canonical SMILES for ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate is C=CCC[C@](C)(C(=O)OCC)S(C)(=O)=O.
What is the InChIKey of ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate?
The InChIKey is BBWWFZWFWHKJHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O4S/c1-5-7-8-10(3,15(4,12)13)9(11)14-6-2/h5H,1,6-8H2,2-4H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate?
ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate has a molecular weight of 234.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-2-methylsulfonylhex-5-enoate is sourced from PubChem (CID 90195637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).