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

C14H20O3S — CID 79899168

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20O3S/c1-13(15,12-3-2-8-18-12)11-4-6-17-14(9-11)5-7-16-10-14/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyOUZLEWLQRTYESJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.54
Rot. Bonds2

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol (PubChem CID 79899168) 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)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
PubChem CID79899168
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20O3S/c1-13(15,12-3-2-8-18-12)11-4-6-17-14(9-11)5-7-16-10-14/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyOUZLEWLQRTYESJ-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
CID 114865417
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol (CID 79899168) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol is CC(O)(c1cccs1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol?
The InChIKey is OUZLEWLQRTYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-13(15,12-3-2-8-18-12)11-4-6-17-14(9-11)5-7-16-10-14/h2-3,8,11,15H,4-7,9-10H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol has a molecular weight of 268.38 g/mol, XLogP of 2.54, 2 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)-1-thiophen-2-ylethanol is sourced from PubChem (CID 79899168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).