methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate

C10H18O2S2 — CID 90144021

IUPACmethyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate
SMILESCOC(=O)CCCC[C@]1(C)CCSS1
InChIInChI=1S/C10H18O2S2/c1-10(7-8-13-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3/t10-/m1/s1
InChIKeyWWJHSKHOCSUEHQ-SNVBAGLBSA-N
MW234.39 g/mol
LogP3.26
Rot. Bonds5

About methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate

methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate (PubChem CID 90144021) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate
PubChem CID90144021
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Namemethyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate
SMILESCOC(=O)CCCC[C@]1(C)CCSS1
InChIInChI=1S/C10H18O2S2/c1-10(7-8-13-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3/t10-/m1/s1
InChIKeyWWJHSKHOCSUEHQ-SNVBAGLBSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate 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 5-[(3R)-3-methyldithiolan-3-yl]pentanoate;propane
CID 144618507
propan-2-yl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate
CID 134386567
butanoyloxymethyl 5-(3-methyldithiolan-3-yl)pentanoate
CID 91263443
N-cyclopentyl-5-(3-methyldithiolan-3-yl)pentanamide
CID 91418766
(E)-4-[7-[(3R)-3-methyldithiolan-3-yl]-3-oxoheptoxy]-4-oxobut-2-enoic acid
CID 144753796
3-hex-5-enyl-3-methyldithiolane
CID 144540870
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 7-[(1-aminocyclopropanecarbonyl)amino]heptanoate
CID 119701294

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate?
The IUPAC name of methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate (CID 90144021) is methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate.
What is the SMILES notation for methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate?
The canonical SMILES for methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate is COC(=O)CCCC[C@]1(C)CCSS1.
What is the InChIKey of methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate?
The InChIKey is WWJHSKHOCSUEHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-10(7-8-13-14-10)6-4-3-5-9(11)12-2/h3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate?
methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate has a molecular weight of 234.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate is sourced from PubChem (CID 90144021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).