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

C11H20O2S — CID 79922491

IUPAC3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
SMILESOCCCC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H20O2S/c12-5-1-2-10-3-6-13-11(8-10)4-7-14-9-11/h10,12H,1-9H2
InChIKeyJQIDKMUPSAQQGV-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.06
Rot. Bonds3

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

3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol (PubChem CID 79922491) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
PubChem CID79922491
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
SMILESOCCCC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H20O2S/c12-5-1-2-10-3-6-13-11(8-10)4-7-14-9-11/h10,12H,1-9H2
InChIKeyJQIDKMUPSAQQGV-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-3-ol
CID 79923999
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
CID 79899699
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
CID 79920471
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
ethyl 5-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-oxopentanoate
CID 79920520

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol (CID 79922491) is 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol.
What is the SMILES notation for 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The canonical SMILES for 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol is OCCCC1CCOC2(CCSC2)C1.
What is the InChIKey of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
The InChIKey is JQIDKMUPSAQQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c12-5-1-2-10-3-6-13-11(8-10)4-7-14-9-11/h10,12H,1-9H2.
What are the key properties of 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol?
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol has a molecular weight of 216.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol is sourced from PubChem (CID 79922491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).