2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane

C16H30S2 — CID 22899111

IUPAC2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane
SMILESCC(C)(CCCCCCC1CS1)CCCC1CS1
InChIInChI=1S/C16H30S2/c1-16(2,11-7-9-15-13-18-15)10-6-4-3-5-8-14-12-17-14/h14-15H,3-13H2,1-2H3
InChIKeyQPXPGEHUXKJTPW-UHFFFAOYSA-N
MW286.55 g/mol
LogP5.75
Rot. Bonds11

About 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane

2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane (PubChem CID 22899111) has the molecular formula C16H30S2 and a molecular weight of 286.55 g/mol. Its IUPAC name is 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane.

Molecular Properties

Compound Name2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane
PubChem CID22899111
Molecular FormulaC16H30S2
Molecular Weight286.55 g/mol
Exact Mass286.18
IUPAC Name2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane
SMILESCC(C)(CCCCCCC1CS1)CCCC1CS1
InChIInChI=1S/C16H30S2/c1-16(2,11-7-9-15-13-18-15)10-6-4-3-5-8-14-12-17-14/h14-15H,3-13H2,1-2H3
InChIKeyQPXPGEHUXKJTPW-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.55
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane 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-[4-methyl-10-(thiiran-2-yl)-4-[3-(thiiran-2-yl)propyl]decyl]thiirane
CID 22899112
1-butyl-2-[4,4-dimethyl-8-(2-propylcyclopropyl)octyl]cyclopropane
CID 123325960
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
3-(11,11-dimethyldodecyl)dithiolane
CID 59717736
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyl-6-[6-[2-(thian-2-yl)ethyl]thian-2-yl]hexan-1-ol
CID 141186598
4-pentyl-1,3-dithiolane
CID 174302072
3,3,9,9-tetramethylundecane
CID 20661116
3,3,19,19-tetramethylhenicosane
CID 123780647
2-nonylthietane
CID 21487379
5-decyl-1,3-thiazolidine
CID 175294789
dimethyl-[2-(thiiran-2-yl)ethyl]borane
CID 20653692

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane?
The IUPAC name of 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane (CID 22899111) is 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane.
What is the SMILES notation for 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane?
The canonical SMILES for 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane is CC(C)(CCCCCCC1CS1)CCCC1CS1.
What is the InChIKey of 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane?
The InChIKey is QPXPGEHUXKJTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30S2/c1-16(2,11-7-9-15-13-18-15)10-6-4-3-5-8-14-12-17-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane?
2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane has a molecular weight of 286.55 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-10-(thiiran-2-yl)decyl]thiirane is sourced from PubChem (CID 22899111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).