(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane

C10H16O4S2 — CID 102330892

IUPAC(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane
SMILESC1CSC[C@H]2OC[C@H]3O[C@@H](CS1)OC[C@H]3O2
InChIInChI=1S/C10H16O4S2/c1-2-16-6-10-12-4-7-8(14-10)3-11-9(13-7)5-15-1/h7-10H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyYNVJLHRXRIYMSI-IMSYWVGJSA-N
MW264.37 g/mol
LogP0.95
Rot. Bonds

About (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane

(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane (PubChem CID 102330892) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane.

Molecular Properties

Compound Name(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane
PubChem CID102330892
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane
SMILESC1CSC[C@H]2OC[C@H]3O[C@@H](CS1)OC[C@H]3O2
InChIInChI=1S/C10H16O4S2/c1-2-16-6-10-12-4-7-8(14-10)3-11-9(13-7)5-15-1/h7-10H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyYNVJLHRXRIYMSI-IMSYWVGJSA-N
XLogP0.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane?
The IUPAC name of (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane (CID 102330892) is (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane.
What is the SMILES notation for (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane?
The canonical SMILES for (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane is C1CSC[C@H]2OC[C@H]3O[C@@H](CS1)OC[C@H]3O2.
What is the InChIKey of (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane?
The InChIKey is YNVJLHRXRIYMSI-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H16O4S2/c1-2-16-6-10-12-4-7-8(14-10)3-11-9(13-7)5-15-1/h7-10H,1-6H2/t7-,8-,9+,10+/m1/s1.
What are the key properties of (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane?
(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane has a molecular weight of 264.37 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane is sourced from PubChem (CID 102330892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).