5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol

C14H18O4S — CID 65455408

IUPAC5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=S1(=O)CCC(Oc2cccc3c2CCCC3O)C1
InChIInChI=1S/C14H18O4S/c15-13-5-1-4-12-11(13)3-2-6-14(12)18-10-7-8-19(16,17)9-10/h2-3,6,10,13,15H,1,4-5,7-9H2
InChIKeyRFSJCYVJRROUDG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.62
Rot. Bonds2

About 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol

5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 65455408) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID65455408
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=S1(=O)CCC(Oc2cccc3c2CCCC3O)C1
InChIInChI=1S/C14H18O4S/c15-13-5-1-4-12-11(13)3-2-6-14(12)18-10-7-8-19(16,17)9-10/h2-3,6,10,13,15H,1,4-5,7-9H2
InChIKeyRFSJCYVJRROUDG-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 65455408) is 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol is O=S1(=O)CCC(Oc2cccc3c2CCCC3O)C1.
What is the InChIKey of 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RFSJCYVJRROUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c15-13-5-1-4-12-11(13)3-2-6-14(12)18-10-7-8-19(16,17)9-10/h2-3,6,10,13,15H,1,4-5,7-9H2.
What are the key properties of 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 282.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 65455408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).