7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane

C8H14O2S — CID 52903783

IUPAC7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane
SMILESCC1(C)OCC2(CO1)CSC2
InChIInChI=1S/C8H14O2S/c1-7(2)9-3-8(4-10-7)5-11-6-8/h3-6H2,1-2H3
InChIKeyWLQJZDNKAAMIBA-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.50
Rot. Bonds

About 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane

7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane (PubChem CID 52903783) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane
PubChem CID52903783
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane
SMILESCC1(C)OCC2(CO1)CSC2
InChIInChI=1S/C8H14O2S/c1-7(2)9-3-8(4-10-7)5-11-6-8/h3-6H2,1-2H3
InChIKeyWLQJZDNKAAMIBA-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The IUPAC name of 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane (CID 52903783) is 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane.
What is the SMILES notation for 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The canonical SMILES for 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane is CC1(C)OCC2(CO1)CSC2.
What is the InChIKey of 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
The InChIKey is WLQJZDNKAAMIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(2)9-3-8(4-10-7)5-11-6-8/h3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane?
7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane has a molecular weight of 174.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dioxa-2-thiaspiro[3.5]nonane is sourced from PubChem (CID 52903783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).