(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C15H22O3S — CID 79913948

IUPAC(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOC3)C2)c(C)s1
InChIInChI=1S/C15H22O3S/c1-10-7-13(11(2)19-10)14(16)12-3-5-18-15(8-12)4-6-17-9-15/h7,12,14,16H,3-6,8-9H2,1-2H3
InChIKeyIIOXXNHGJLWOME-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.98
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79913948) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID79913948
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOC3)C2)c(C)s1
InChIInChI=1S/C15H22O3S/c1-10-7-13(11(2)19-10)14(16)12-3-5-18-15(8-12)4-6-17-9-15/h7,12,14,16H,3-6,8-9H2,1-2H3
InChIKeyIIOXXNHGJLWOME-UHFFFAOYSA-N
XLogP2.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
(2-bromo-5-methoxyphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 105116300
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 79913948) is (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is Cc1cc(C(O)C2CCOC3(CCOC3)C2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is IIOXXNHGJLWOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-10-7-13(11(2)19-10)14(16)12-3-5-18-15(8-12)4-6-17-9-15/h7,12,14,16H,3-6,8-9H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 282.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79913948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).