2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

C17H30O2S — CID 79913520

IUPAC2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H30O2S/c1-15(2)6-3-4-7-17(15,18)14-5-10-19-16(13-14)8-11-20-12-9-16/h14,18H,3-13H2,1-2H3
InChIKeyBIGKOCQIUMARAZ-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.01
Rot. Bonds1

About 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (PubChem CID 79913520) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
PubChem CID79913520
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H30O2S/c1-15(2)6-3-4-7-17(15,18)14-5-10-19-16(13-14)8-11-20-12-9-16/h14,18H,3-13H2,1-2H3
InChIKeyBIGKOCQIUMARAZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929
3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 80692366
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1-carboxylic acid
CID 79907917
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
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
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
CID 114952588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (CID 79913520) is 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is CC1(C)CCCCC1(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The InChIKey is BIGKOCQIUMARAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-15(2)6-3-4-7-17(15,18)14-5-10-19-16(13-14)8-11-20-12-9-16/h14,18H,3-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol has a molecular weight of 298.49 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).