2-[10-(1,3-dithian-2-yl)decoxy]oxane

C19H36O2S2 — CID 15685599

IUPAC2-[10-(1,3-dithian-2-yl)decoxy]oxane
SMILESC(CCCCCC1SCCCS1)CCCCOC1CCCCO1
InChIInChI=1S/C19H36O2S2/c1(3-5-7-13-19-22-16-11-17-23-19)2-4-6-9-14-20-18-12-8-10-15-21-18/h18-19H,1-17H2
InChIKeyHVEHGKFANDYYBM-UHFFFAOYSA-N
MW360.63 g/mol
LogP6.24
Rot. Bonds12

About 2-[10-(1,3-dithian-2-yl)decoxy]oxane

2-[10-(1,3-dithian-2-yl)decoxy]oxane (PubChem CID 15685599) has the molecular formula C19H36O2S2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-[10-(1,3-dithian-2-yl)decoxy]oxane.

Molecular Properties

Compound Name2-[10-(1,3-dithian-2-yl)decoxy]oxane
PubChem CID15685599
Molecular FormulaC19H36O2S2
Molecular Weight360.63 g/mol
Exact Mass360.22
IUPAC Name2-[10-(1,3-dithian-2-yl)decoxy]oxane
SMILESC(CCCCCC1SCCCS1)CCCCOC1CCCCO1
InChIInChI=1S/C19H36O2S2/c1(3-5-7-13-19-22-16-11-17-23-19)2-4-6-9-14-20-18-12-8-10-15-21-18/h18-19H,1-17H2
InChIKeyHVEHGKFANDYYBM-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,3-Dithian-2-yl)propoxy]oxane
CID 11108152
1,3-Dithiane, 2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
CID 10869564
1-[2-[10-(Oxan-2-yloxy)decyl]-1,3-dithian-2-yl]propan-2-ol
CID 15685600
2-Propyl-2-(11,13-dioxatetradecyl)-1,3-dithiane
CID 85907343
2-[2-[2-[2-(2-Pentadecyl-1,3-dithian-2-yl)ethyl]cyclopropyl]ethoxy]oxane
CID 134936487
2-Butyl-2-[8-(methoxymethoxy)octyl]-1,3-dithiane
CID 10521721
2-[9-(Methoxymethoxy)nonyl]-2-propyl-1,3-dithiane
CID 10569769
2-Butyl-2-[6-(methoxymethoxy)hexyl]-1,3-dithiane
CID 10892575
2-(2,2-Dimethoxyethyl)-2-(2,2-dimethoxyhexyl)-1,3-dithiane
CID 14198002
2-(2-Butylsulfanyl-3-octadecoxypropoxy)oxane
CID 20432199
2-[2-[3-[2-(Oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane
CID 20633391
2-[3-[3-[3-(Oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393

Frequently Asked Questions

What is the IUPAC name of 2-[10-(1,3-dithian-2-yl)decoxy]oxane?
The IUPAC name of 2-[10-(1,3-dithian-2-yl)decoxy]oxane (CID 15685599) is 2-[10-(1,3-dithian-2-yl)decoxy]oxane.
What is the SMILES notation for 2-[10-(1,3-dithian-2-yl)decoxy]oxane?
The canonical SMILES for 2-[10-(1,3-dithian-2-yl)decoxy]oxane is C(CCCCCC1SCCCS1)CCCCOC1CCCCO1.
What is the InChIKey of 2-[10-(1,3-dithian-2-yl)decoxy]oxane?
The InChIKey is HVEHGKFANDYYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2S2/c1(3-5-7-13-19-22-16-11-17-23-19)2-4-6-9-14-20-18-12-8-10-15-21-18/h18-19H,1-17H2.
What are the key properties of 2-[10-(1,3-dithian-2-yl)decoxy]oxane?
2-[10-(1,3-dithian-2-yl)decoxy]oxane has a molecular weight of 360.63 g/mol, XLogP of 6.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(1,3-dithian-2-yl)decoxy]oxane is sourced from PubChem (CID 15685599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).