1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione

C14H24O4S2 — CID 10663525

IUPAC1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione
SMILESO=C1CCCCCSCOC(=O)CCCCCSCO1
InChIInChI=1S/C14H24O4S2/c15-13-7-3-1-5-9-19-11-18-14(16)8-4-2-6-10-20-12-17-13/h1-12H2
InChIKeyLSQKCLIIGVJNDZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.59
Rot. Bonds

About 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione

1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione (PubChem CID 10663525) has the molecular formula C14H24O4S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione.

Molecular Properties

Compound Name1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione
PubChem CID10663525
Molecular FormulaC14H24O4S2
Molecular Weight320.48 g/mol
Exact Mass320.11
IUPAC Name1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione
SMILESO=C1CCCCCSCOC(=O)CCCCCSCO1
InChIInChI=1S/C14H24O4S2/c15-13-7-3-1-5-9-19-11-18-14(16)8-4-2-6-10-20-12-17-13/h1-12H2
InChIKeyLSQKCLIIGVJNDZ-UHFFFAOYSA-N
XLogP3.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Methylthio)propyl hexanoate
CID 46779102
(S)-3-Methylthiohexyl hexanoate
CID 543585
Hexanedioic acid, 1,6-bis(2-mercaptoethyl) ester
CID 82442
(2S,5R)-Tetrahydrothiophene-2,5-dicarboxylic acid dimethyl ester
CID 13425807
Methyl 6-acetylsulfanylhexanoate
CID 44472838
Ethyl 6-(propylthio)hexanoate
CID 64294098
Methyl 2-(6-fluorohexylsulfanyl)hexanoate
CID 87340021
Methyl 2-(4-fluoropentylsulfanyl)hexanoate
CID 87340597
Methyl 2-(4-fluorobutylsulfanyl)hexanoate
CID 87340654
Methyl 2-(4-fluorohexylsulfanyl)hexanoate
CID 87341869
Methyl 2-(3-fluoropropylsulfanyl)hexanoate
CID 87341885
Methyl 2-(5-fluorohexylsulfanyl)hexanoate
CID 87341984

Frequently Asked Questions

What is the IUPAC name of 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione?
The IUPAC name of 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione (CID 10663525) is 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione.
What is the SMILES notation for 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione?
The canonical SMILES for 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione is O=C1CCCCCSCOC(=O)CCCCCSCO1.
What is the InChIKey of 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione?
The InChIKey is LSQKCLIIGVJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S2/c15-13-7-3-1-5-9-19-11-18-14(16)8-4-2-6-10-20-12-17-13/h1-12H2.
What are the key properties of 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione?
1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione has a molecular weight of 320.48 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxa-3,12-dithiacyclooctadecane-9,18-dione is sourced from PubChem (CID 10663525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).