dodecylbenzene;thiolane 1,1-dioxide

C22H38O2S — CID 162147087

IUPACdodecylbenzene;thiolane 1,1-dioxide
SMILESCCCCCCCCCCCCc1ccccc1.O=S1(=O)CCCC1
InChIInChI=1S/C18H30.C4H8O2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;5-7(6)3-1-2-4-7/h11,13-14,16-17H,2-10,12,15H2,1H3;1-4H2
InChIKeyZKRVRNAXURYLLF-UHFFFAOYSA-N
MW366.61 g/mol
LogP6.34
Rot. Bonds11

About dodecylbenzene;thiolane 1,1-dioxide

dodecylbenzene;thiolane 1,1-dioxide (PubChem CID 162147087) has the molecular formula C22H38O2S and a molecular weight of 366.61 g/mol. Its IUPAC name is dodecylbenzene;thiolane 1,1-dioxide.

Molecular Properties

Compound Namedodecylbenzene;thiolane 1,1-dioxide
PubChem CID162147087
Molecular FormulaC22H38O2S
Molecular Weight366.61 g/mol
Exact Mass366.26
IUPAC Namedodecylbenzene;thiolane 1,1-dioxide
SMILESCCCCCCCCCCCCc1ccccc1.O=S1(=O)CCCC1
InChIInChI=1S/C18H30.C4H8O2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;5-7(6)3-1-2-4-7/h11,13-14,16-17H,2-10,12,15H2,1H3;1-4H2
InChIKeyZKRVRNAXURYLLF-UHFFFAOYSA-N
XLogP6.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.61
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;thiolane 1,1-dioxide?
The IUPAC name of dodecylbenzene;thiolane 1,1-dioxide (CID 162147087) is dodecylbenzene;thiolane 1,1-dioxide.
What is the SMILES notation for dodecylbenzene;thiolane 1,1-dioxide?
The canonical SMILES for dodecylbenzene;thiolane 1,1-dioxide is CCCCCCCCCCCCc1ccccc1.O=S1(=O)CCCC1.
What is the InChIKey of dodecylbenzene;thiolane 1,1-dioxide?
The InChIKey is ZKRVRNAXURYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C4H8O2S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;5-7(6)3-1-2-4-7/h11,13-14,16-17H,2-10,12,15H2,1H3;1-4H2.
What are the key properties of dodecylbenzene;thiolane 1,1-dioxide?
dodecylbenzene;thiolane 1,1-dioxide has a molecular weight of 366.61 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;thiolane 1,1-dioxide is sourced from PubChem (CID 162147087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).