1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione

C32H60O4S2 — CID 14268111

IUPAC1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione
SMILESO=C1CCCCCCCCCCCSCCCCOC(=O)CCCCCCCCCCCSCCCCO1
InChIInChI=1S/C32H60O4S2/c33-31-23-15-11-7-3-1-5-9-13-19-27-37-29-21-17-26-36-32(34)24-16-12-8-4-2-6-10-14-20-28-38-30-22-18-25-35-31/h1-30H2
InChIKeyNAAPKXPQZAAUEL-UHFFFAOYSA-N
MW572.96 g/mol
LogP9.92
Rot. Bonds

About 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione

1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione (PubChem CID 14268111) has the molecular formula C32H60O4S2 and a molecular weight of 572.96 g/mol. Its IUPAC name is 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione.

Molecular Properties

Compound Name1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione
PubChem CID14268111
Molecular FormulaC32H60O4S2
Molecular Weight572.96 g/mol
Exact Mass572.39
IUPAC Name1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione
SMILESO=C1CCCCCCCCCCCSCCCCOC(=O)CCCCCCCCCCCSCCCCO1
InChIInChI=1S/C32H60O4S2/c33-31-23-15-11-7-3-1-5-9-13-19-27-37-29-21-17-26-36-32(34)24-16-12-8-4-2-6-10-14-20-28-38-30-22-18-25-35-31/h1-30H2
InChIKeyNAAPKXPQZAAUEL-UHFFFAOYSA-N
XLogP9.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.96
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1,11-dioxacycloicosane-2,12-dione
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1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,10,19-trioxa-3,12,21-trithiacycloheptacosane-9,18,27-trione
CID 10790900
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
formonitrile;oxepan-2-one
CID 174857419
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454
1,5-dioxacycloheptadecan-6-one
CID 101379829

Frequently Asked Questions

What is the IUPAC name of 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione?
The IUPAC name of 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione (CID 14268111) is 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione.
What is the SMILES notation for 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione?
The canonical SMILES for 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione is O=C1CCCCCCCCCCCSCCCCOC(=O)CCCCCCCCCCCSCCCCO1.
What is the InChIKey of 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione?
The InChIKey is NAAPKXPQZAAUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60O4S2/c33-31-23-15-11-7-3-1-5-9-13-19-27-37-29-21-17-26-36-32(34)24-16-12-8-4-2-6-10-14-20-28-38-30-22-18-25-35-31/h1-30H2.
What are the key properties of 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione?
1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione has a molecular weight of 572.96 g/mol, XLogP of 9.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,19-dioxa-6,24-dithiacyclohexatriacontane-18,36-dione is sourced from PubChem (CID 14268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).