2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane

C16H28O4S2 — CID 23254613

IUPAC2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane
SMILESC1CSC(CCCCC2OCCO2)(CCC2OCCO2)SC1
InChIInChI=1S/C16H28O4S2/c1(4-14-17-8-9-18-14)2-6-16(21-12-3-13-22-16)7-5-15-19-10-11-20-15/h14-15H,1-13H2
InChIKeyLUELSLHIDIFUAX-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.64
Rot. Bonds8

About 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane

2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane (PubChem CID 23254613) has the molecular formula C16H28O4S2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane
PubChem CID23254613
Molecular FormulaC16H28O4S2
Molecular Weight348.53 g/mol
Exact Mass348.14
IUPAC Name2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane
SMILESC1CSC(CCCCC2OCCO2)(CCC2OCCO2)SC1
InChIInChI=1S/C16H28O4S2/c1(4-14-17-8-9-18-14)2-6-16(21-12-3-13-22-16)7-5-15-19-10-11-20-15/h14-15H,1-13H2
InChIKeyLUELSLHIDIFUAX-UHFFFAOYSA-N
XLogP3.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane with MolForge

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Related Compounds

2-[3-[2-[3-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]propyl]-1,3-dioxolane
CID 11210244
(3S)-3-[3-[2-[3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]propyl]-1,3-dithian-2-yl]propyl]-1,4-dioxaspiro[4.5]decane
CID 134937029
2-[2-[2-(2,2-Dimethoxyethyl)-1,3-dithian-2-yl]ethyl]-2-methyl-1,3-dioxolane
CID 11638375
(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane
CID 11258224
2-[5-(1,3-Dithian-2-yl)pentyl]-1,3-dioxolane
CID 11832236
2-[4-(1,3-Dithian-2-yl)butyl]-1,3-dioxolane
CID 12169745
2-[3-(2-Methyl-1,3-dithian-2-yl)propyl]-1,3-dioxolane
CID 14701599
2-[3-[2-[4-(1,3-Dioxolan-2-yl)butyl]-1,3-dithian-2-yl]propyl]-1,3-dioxolane
CID 23254617
2-(9-{2-[4-(1,3-Dithian-2-YL)butyl]-1,3-dithian-2-YL}nonyl)-1,3-dioxolane
CID 71443232
2-[10-(1,3-Dithiolan-2-yl)decyl]-1,3-dioxolane
CID 102187773

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane (CID 23254613) is 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane is C1CSC(CCCCC2OCCO2)(CCC2OCCO2)SC1.
What is the InChIKey of 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane?
The InChIKey is LUELSLHIDIFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4S2/c1(4-14-17-8-9-18-14)2-6-16(21-12-3-13-22-16)7-5-15-19-10-11-20-15/h14-15H,1-13H2.
What are the key properties of 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane?
2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane has a molecular weight of 348.53 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 23254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).