4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one

C14H22O7S2 — CID 118476387

IUPAC4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCSCCOCCSCCC2COC(=O)O2)O1
InChIInChI=1S/C14H22O7S2/c15-13-18-9-11(20-13)1-5-22-7-3-17-4-8-23-6-2-12-10-19-14(16)21-12/h11-12H,1-10H2
InChIKeyDNYCDNHFBURZFW-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.32
Rot. Bonds12

About 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one

4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one (PubChem CID 118476387) has the molecular formula C14H22O7S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one
PubChem CID118476387
Molecular FormulaC14H22O7S2
Molecular Weight366.46 g/mol
Exact Mass366.08
IUPAC Name4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCSCCOCCSCCC2COC(=O)O2)O1
InChIInChI=1S/C14H22O7S2/c15-13-18-9-11(20-13)1-5-22-7-3-17-4-8-23-6-2-12-10-19-14(16)21-12/h11-12H,1-10H2
InChIKeyDNYCDNHFBURZFW-UHFFFAOYSA-N
XLogP2.32
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,6-Bis(1,3-dioxolan-2-one)-2,5-dithiahexane
CID 139055033
(R)-2-[(R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
CID 139076898
4-[3-[2-[2-[2-[3-[(2-Oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one
CID 155926820
4-[2-[6-[2-(2-Oxo-1,3-dioxolan-4-yl)ethylsulfanyl]hexylsulfanyl]ethyl]-1,3-dioxolan-2-one
CID 90265126
4-[4-[2-[4-(2-Oxo-1,3-dioxolan-4-yl)butylsulfanyl]ethylsulfanyl]butyl]-1,3-dioxolan-2-one
CID 101093537
Butyl 3-(2-(2-oxo-1,3-dioxolan-4-yl)ethylthio)propanoate
CID 118389509
4-[3-[2-[2-[3-[(2-Oxo-1,3-dioxolan-4-yl)oxy]propylsulfanyl]ethoxy]ethylsulfanyl]propoxy]-1,3-dioxolan-2-one
CID 126755087
4-(2-Butylsulfanylethyl)-1,3-dioxolan-2-one
CID 142314857
5-[4-[(2-Hydroxy-1,3-oxathiolan-5-yl)methoxy]butoxy]-1,3-oxathiolan-2-one
CID 146637771
5-[2-[(2-Oxo-1,3-oxathiolan-5-yl)methoxy]ethoxymethyl]-1,3-oxathiolan-2-one
CID 154608104
5-[4-[(2-Oxo-1,3-oxathiolan-5-yl)methoxy]butoxymethyl]-1,3-oxathiolan-2-one
CID 154674592
5-[4-[(2-Hydroxy-1,3-oxathiolan-5-yl)methoxy]butoxymethyl]-1,3-oxathiolan-2-one
CID 155053901

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one (CID 118476387) is 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one is O=C1OCC(CCSCCOCCSCCC2COC(=O)O2)O1.
What is the InChIKey of 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one?
The InChIKey is DNYCDNHFBURZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7S2/c15-13-18-9-11(20-13)1-5-22-7-3-17-4-8-23-6-2-12-10-19-14(16)21-12/h11-12H,1-10H2.
What are the key properties of 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one?
4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.32, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-yl)ethylsulfanyl]ethoxy]ethylsulfanyl]ethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 118476387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).