3-methyl-6λ4-thiaspiro[5.6]dodecane

C12H24S — CID 70985048

IUPAC3-methyl-6λ4-thiaspiro[5.6]dodecane
SMILESCC1CCS2(CCCCCC2)CC1
InChIInChI=1S/C12H24S/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3
InChIKeyOUZOLNNRAIMYBM-UHFFFAOYSA-N
MW200.39 g/mol
LogP3.79
Rot. Bonds

About 3-methyl-6λ4-thiaspiro[5.6]dodecane

3-methyl-6λ4-thiaspiro[5.6]dodecane (PubChem CID 70985048) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 3-methyl-6λ4-thiaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-methyl-6λ4-thiaspiro[5.6]dodecane
PubChem CID70985048
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name3-methyl-6λ4-thiaspiro[5.6]dodecane
SMILESCC1CCS2(CCCCCC2)CC1
InChIInChI=1S/C12H24S/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3
InChIKeyOUZOLNNRAIMYBM-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
N-ethyl-6λ4-thiaspiro[5.5]undecan-3-amine
CID 129121429
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611
gallane;methylcyclohexane
CID 174461507
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
methylcyclopentane
CID 7296
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;ethane;methylcyclopropane
CID 143875535
ethane;methylcyclohexane;dihydrate
CID 144526565

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6λ4-thiaspiro[5.6]dodecane?
The IUPAC name of 3-methyl-6λ4-thiaspiro[5.6]dodecane (CID 70985048) is 3-methyl-6λ4-thiaspiro[5.6]dodecane.
What is the SMILES notation for 3-methyl-6λ4-thiaspiro[5.6]dodecane?
The canonical SMILES for 3-methyl-6λ4-thiaspiro[5.6]dodecane is CC1CCS2(CCCCCC2)CC1.
What is the InChIKey of 3-methyl-6λ4-thiaspiro[5.6]dodecane?
The InChIKey is OUZOLNNRAIMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3.
What are the key properties of 3-methyl-6λ4-thiaspiro[5.6]dodecane?
3-methyl-6λ4-thiaspiro[5.6]dodecane has a molecular weight of 200.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6λ4-thiaspiro[5.6]dodecane is sourced from PubChem (CID 70985048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).