5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol

C16H28O2S — CID 79947103

IUPAC5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
SMILESCC1(C)CSCC(O)(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-14(2)10-16(17,12-19-11-14)13-5-8-18-15(9-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3
InChIKeyKHDDZRLPSPHKAA-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.62
Rot. Bonds1

About 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol

5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol (PubChem CID 79947103) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
PubChem CID79947103
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
SMILESCC1(C)CSCC(O)(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-14(2)10-16(17,12-19-11-14)13-5-8-18-15(9-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3
InChIKeyKHDDZRLPSPHKAA-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol 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

4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912832
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
3-cycloheptyl-5,5-dimethylthian-3-ol
CID 82928190
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol?
The IUPAC name of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol (CID 79947103) is 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol.
What is the SMILES notation for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol?
The canonical SMILES for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol is CC1(C)CSCC(O)(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol?
The InChIKey is KHDDZRLPSPHKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-14(2)10-16(17,12-19-11-14)13-5-8-18-15(9-13)6-3-4-7-15/h13,17H,3-12H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol?
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol has a molecular weight of 284.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol is sourced from PubChem (CID 79947103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).