9-methyl-1-oxa-5-thiaspiro[5.5]undecane

C10H18OS — CID 126641742

IUPAC9-methyl-1-oxa-5-thiaspiro[5.5]undecane
SMILESCC1CCC2(CC1)OCCCS2
InChIInChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-2-8-12-10/h9H,2-8H2,1H3
InChIKeyCMIUIRUBZJEIEG-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.05
Rot. Bonds

About 9-methyl-1-oxa-5-thiaspiro[5.5]undecane

9-methyl-1-oxa-5-thiaspiro[5.5]undecane (PubChem CID 126641742) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 9-methyl-1-oxa-5-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-1-oxa-5-thiaspiro[5.5]undecane
PubChem CID126641742
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name9-methyl-1-oxa-5-thiaspiro[5.5]undecane
SMILESCC1CCC2(CC1)OCCCS2
InChIInChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-2-8-12-10/h9H,2-8H2,1H3
InChIKeyCMIUIRUBZJEIEG-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-1-oxa-5-thiaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Fluoro-4-[(4-methoxycyclohexyl)methylsulfanylmethyl]cyclohexane
CID 145833006
2-Cyclohexyl-1,3-oxathiane
CID 19349491
2-Cyclohexyl-1,4-oxathiane
CID 19349500
4-Ethylsulfanyl-3-propyloxane
CID 53778399
3-Cyclohexyl-1,4-oxathiane
CID 53964600
3-Ethyl-4-ethylsulfanyloxane
CID 54391009
2-Cyclohexyl-4-methyl-1,3-oxathiane
CID 59309454
4-Oxa-1-thiaspiro[5.5]undecane
CID 118209850
1-Oxa-4-thiaspiro[5.5]undecane
CID 118210614
Dimethyl-[2-(6-methyloxan-3-yl)ethyl]-propan-2-yl-lambda4-sulfane
CID 134449837
Dimethyl-[2-(2-methyloxan-4-yl)ethyl]-propan-2-yl-lambda4-sulfane
CID 138626301
2-Methyl-5-(2-methylsulfanylethyl)oxane
CID 139448151

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-oxa-5-thiaspiro[5.5]undecane?
The IUPAC name of 9-methyl-1-oxa-5-thiaspiro[5.5]undecane (CID 126641742) is 9-methyl-1-oxa-5-thiaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-1-oxa-5-thiaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-1-oxa-5-thiaspiro[5.5]undecane is CC1CCC2(CC1)OCCCS2.
What is the InChIKey of 9-methyl-1-oxa-5-thiaspiro[5.5]undecane?
The InChIKey is CMIUIRUBZJEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9-3-5-10(6-4-9)11-7-2-8-12-10/h9H,2-8H2,1H3.
What are the key properties of 9-methyl-1-oxa-5-thiaspiro[5.5]undecane?
9-methyl-1-oxa-5-thiaspiro[5.5]undecane has a molecular weight of 186.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-oxa-5-thiaspiro[5.5]undecane is sourced from PubChem (CID 126641742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).