3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C16H28O2S — CID 79913687

IUPAC3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-14(2)5-3-6-16(17,11-14)13-4-8-18-15(10-13)7-9-19-12-15/h13,17H,3-12H2,1-2H3
InChIKeyGRBJCJPZGCEYGO-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.62
Rot. Bonds1

About 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 79913687) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID79913687
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-14(2)5-3-6-16(17,11-14)13-4-8-18-15(10-13)7-9-19-12-15/h13,17H,3-12H2,1-2H3
InChIKeyGRBJCJPZGCEYGO-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

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Related Compounds

4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912378
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248
4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 79913687) is 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is CC1(C)CCCC(O)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is GRBJCJPZGCEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-14(2)5-3-6-16(17,11-14)13-4-8-18-15(10-13)7-9-19-12-15/h13,17H,3-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-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 3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).