3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C17H30O2S — CID 79898833

IUPAC3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H30O2S/c1-13-8-15(2,3)11-17(18,9-13)14-4-6-19-16(10-14)5-7-20-12-16/h13-14,18H,4-12H2,1-3H3
InChIKeyZOQAMQQLPSRCDN-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.87
Rot. Bonds1

About 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 79898833) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID79898833
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C17H30O2S/c1-13-8-15(2,3)11-17(18,9-13)14-4-6-19-16(10-14)5-7-20-12-16/h13-14,18H,4-12H2,1-3H3
InChIKeyZOQAMQQLPSRCDN-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 79898833) is 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is CC1CC(C)(C)CC(O)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is ZOQAMQQLPSRCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-13-8-15(2,3)11-17(18,9-13)14-4-6-19-16(10-14)5-7-20-12-16/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol has a molecular weight of 298.49 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 79898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).