7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane

C9H14O2S — CID 155820374

IUPAC7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane
SMILESC1COC2(CCC3(CC2)CS3)O1
InChIInChI=1S/C9H14O2S/c1-3-9(10-5-6-11-9)4-2-8(1)7-12-8/h1-7H2
InChIKeyHMDITGCMCMHIAW-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.79
Rot. Bonds

About 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane

7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane (PubChem CID 155820374) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane.

Molecular Properties

Compound Name7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane
PubChem CID155820374
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane
SMILESC1COC2(CCC3(CC2)CS3)O1
InChIInChI=1S/C9H14O2S/c1-3-9(10-5-6-11-9)4-2-8(1)7-12-8/h1-7H2
InChIKeyHMDITGCMCMHIAW-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

8-(Methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 131182894

Frequently Asked Questions

What is the IUPAC name of 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane?
The IUPAC name of 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane (CID 155820374) is 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane.
What is the SMILES notation for 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane?
The canonical SMILES for 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane is C1COC2(CCC3(CC2)CS3)O1.
What is the InChIKey of 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane?
The InChIKey is HMDITGCMCMHIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-3-9(10-5-6-11-9)4-2-8(1)7-12-8/h1-7H2.
What are the key properties of 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane?
7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane has a molecular weight of 186.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane is sourced from PubChem (CID 155820374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).