3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol

C11H20O2S2 — CID 15004403

IUPAC3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol
SMILESCCCC1(O)OC(C)CC12SCCCS2
InChIInChI=1S/C11H20O2S2/c1-3-5-10(12)11(8-9(2)13-10)14-6-4-7-15-11/h9,12H,3-8H2,1-2H3
InChIKeyKGJKGRYAMTTXTG-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.85
Rot. Bonds2

About 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol

3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol (PubChem CID 15004403) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol.

Molecular Properties

Compound Name3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol
PubChem CID15004403
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol
SMILESCCCC1(O)OC(C)CC12SCCCS2
InChIInChI=1S/C11H20O2S2/c1-3-5-10(12)11(8-9(2)13-10)14-6-4-7-15-11/h9,12H,3-8H2,1-2H3
InChIKeyKGJKGRYAMTTXTG-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol?
The IUPAC name of 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol (CID 15004403) is 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol.
What is the SMILES notation for 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol?
The canonical SMILES for 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol is CCCC1(O)OC(C)CC12SCCCS2.
What is the InChIKey of 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol?
The InChIKey is KGJKGRYAMTTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S2/c1-3-5-10(12)11(8-9(2)13-10)14-6-4-7-15-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol?
3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-2-oxa-6,10-dithiaspiro[4.5]decan-1-ol is sourced from PubChem (CID 15004403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).