1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane

C12H24O2S4 — CID 520443

IUPAC1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane
SMILESC1CSCCSCCOCCSCCSCCO1
InChIInChI=1S/C12H24O2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h1-12H2
InChIKeyBFVXNKXLPBNMQI-UHFFFAOYSA-N
MW328.59 g/mol
LogP2.97
Rot. Bonds

About 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane

1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane (PubChem CID 520443) has the molecular formula C12H24O2S4 and a molecular weight of 328.59 g/mol. Its IUPAC name is 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane.

Molecular Properties

Compound Name1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane
PubChem CID520443
Molecular FormulaC12H24O2S4
Molecular Weight328.59 g/mol
Exact Mass328.07
IUPAC Name1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane
SMILESC1CSCCSCCOCCSCCSCCO1
InChIInChI=1S/C12H24O2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h1-12H2
InChIKeyBFVXNKXLPBNMQI-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane?
The IUPAC name of 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane (CID 520443) is 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane.
What is the SMILES notation for 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane?
The canonical SMILES for 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane is C1CSCCSCCOCCSCCSCCO1.
What is the InChIKey of 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane?
The InChIKey is BFVXNKXLPBNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h1-12H2.
What are the key properties of 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane?
1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane has a molecular weight of 328.59 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane is sourced from PubChem (CID 520443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).