1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol

C14H20O3S — CID 79921737

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20O3S/c15-13(8-12-2-1-7-18-12)11-3-5-17-14(9-11)4-6-16-10-14/h1-2,7,11,13,15H,3-6,8-10H2
InChIKeyQNCFGCGZTKGGHC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.24
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol (PubChem CID 79921737) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
PubChem CID79921737
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20O3S/c15-13(8-12-2-1-7-18-12)11-3-5-17-14(9-11)4-6-16-10-14/h1-2,7,11,13,15H,3-6,8-10H2
InChIKeyQNCFGCGZTKGGHC-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
CID 105116440
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
1-[(3R)-pyrrolidin-3-yl]-2-thiophen-2-ylethanol
CID 164654563
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105170846

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol (CID 79921737) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol?
The InChIKey is QNCFGCGZTKGGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c15-13(8-12-2-1-7-18-12)11-3-5-17-14(9-11)4-6-16-10-14/h1-2,7,11,13,15H,3-6,8-10H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol has a molecular weight of 268.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 79921737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).