2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C18H32O2S — CID 79898838

IUPAC2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C18H32O2S/c1-16(2,3)15-6-4-5-8-18(15,19)14-7-10-20-17(12-14)9-11-21-13-17/h14-15,19H,4-13H2,1-3H3
InChIKeyDGDDAEYAKAAGSE-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.26
Rot. Bonds1

About 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 79898838) has the molecular formula C18H32O2S and a molecular weight of 312.52 g/mol. Its IUPAC name is 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID79898838
Molecular FormulaC18H32O2S
Molecular Weight312.52 g/mol
Exact Mass312.21
IUPAC Name2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C18H32O2S/c1-16(2,3)15-6-4-5-8-18(15,19)14-7-10-20-17(12-14)9-11-21-13-17/h14-15,19H,4-13H2,1-3H3
InChIKeyDGDDAEYAKAAGSE-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 79898838) is 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is DGDDAEYAKAAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2S/c1-16(2,3)15-6-4-5-8-18(15,19)14-7-10-20-17(12-14)9-11-21-13-17/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol has a molecular weight of 312.52 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 79898838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).