(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C17H26O2S — CID 79912363

IUPAC(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCCCC3)C2)c(C)s1
InChIInChI=1S/C17H26O2S/c1-12-10-15(13(2)20-12)16(18)14-6-9-19-17(11-14)7-4-3-5-8-17/h10,14,16,18H,3-9,11H2,1-2H3
InChIKeyXSLDRIWEGLUMMS-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.53
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79912363) has the molecular formula C17H26O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79912363
Molecular FormulaC17H26O2S
Molecular Weight294.46 g/mol
Exact Mass294.17
IUPAC Name(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCCCC3)C2)c(C)s1
InChIInChI=1S/C17H26O2S/c1-12-10-15(13(2)20-12)16(18)14-6-9-19-17(11-14)7-4-3-5-8-17/h10,14,16,18H,3-9,11H2,1-2H3
InChIKeyXSLDRIWEGLUMMS-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 79912363) is (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is Cc1cc(C(O)C2CCOC3(CCCCC3)C2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is XSLDRIWEGLUMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2S/c1-12-10-15(13(2)20-12)16(18)14-6-9-19-17(11-14)7-4-3-5-8-17/h10,14,16,18H,3-9,11H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 294.46 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).