3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol

C13H24O2S — CID 79899736

IUPAC3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol
SMILESCC(C)C(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24O2S/c1-10(2)12(3,14)11-4-6-15-13(8-11)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyCZOMYMNXLDDBPK-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.70
Rot. Bonds2

About 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol

3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol (PubChem CID 79899736) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol
PubChem CID79899736
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol
SMILESCC(C)C(C)(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24O2S/c1-10(2)12(3,14)11-4-6-15-13(8-11)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyCZOMYMNXLDDBPK-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol?
The IUPAC name of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol (CID 79899736) is 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol?
The canonical SMILES for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol is CC(C)C(C)(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol?
The InChIKey is CZOMYMNXLDDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S/c1-10(2)12(3,14)11-4-6-15-13(8-11)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol?
3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol has a molecular weight of 244.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-ol is sourced from PubChem (CID 79899736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).