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

C15H26O2S — CID 79911492

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14,16H,1-11H2
InChIKeyMBMPECYXLFSEAL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.23
Rot. Bonds1

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

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (PubChem CID 79911492) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
PubChem CID79911492
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H26O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14,16H,1-11H2
InChIKeyMBMPECYXLFSEAL-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 79909534
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
1-oxa-9-thiaspiro[5.5]undecan-4-ylboronic acid
CID 79919830

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (CID 79911492) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is OC1CCCCC1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The InChIKey is MBMPECYXLFSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-14,16H,1-11H2.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol has a molecular weight of 270.44 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 79911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).