8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C13H18O3S — CID 102829288

IUPAC8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1sccc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O3S/c1-10-11(2-9-17-10)12(14)3-5-13(6-4-12)15-7-8-16-13/h2,9,14H,3-8H2,1H3
InChIKeyHDSYPFTVBMVVSU-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds1

About 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 102829288) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID102829288
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1sccc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H18O3S/c1-10-11(2-9-17-10)12(14)3-5-13(6-4-12)15-7-8-16-13/h2,9,14H,3-8H2,1H3
InChIKeyHDSYPFTVBMVVSU-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

4-(2-methylthiophen-3-yl)oxan-4-ol
CID 102829109
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
CID 102829342
5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
CID 102829319
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535
1-(2,3-difluoro-4-methylphenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 58058754
8-(3-iodo-4-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 20827864
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59541910
8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114518630

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 102829288) is 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol is Cc1sccc1C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is HDSYPFTVBMVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-10-11(2-9-17-10)12(14)3-5-13(6-4-12)15-7-8-16-13/h2,9,14H,3-8H2,1H3.
What are the key properties of 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 254.35 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 102829288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).