1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol

C8H14O3S — CID 10987066

IUPAC1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol
SMILESOCC1CSCCC12OCCO2
InChIInChI=1S/C8H14O3S/c9-5-7-6-12-4-1-8(7)10-2-3-11-8/h7,9H,1-6H2
InChIKeyVMFTXGABTLNGHW-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.47
Rot. Bonds1

About 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol

1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol (PubChem CID 10987066) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol.

Molecular Properties

Compound Name1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol
PubChem CID10987066
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol
SMILESOCC1CSCCC12OCCO2
InChIInChI=1S/C8H14O3S/c9-5-7-6-12-4-1-8(7)10-2-3-11-8/h7,9H,1-6H2
InChIKeyVMFTXGABTLNGHW-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211463
[(6S,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211465
1,4-Dioxa-8-thiaspiro[4,5]decan-7-ol
CID 18923997
2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-thiopyrano[3,4-d][1,3]dioxol-4-ol
CID 124112948
[(6S,10S)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211464
[2-(Thian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094429
[2-(Thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094471
[2-(Thian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094491
[2-(Thian-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094595
2-[2-(Thian-4-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168445
2-[2-Methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168447
[2-Methyl-2-(thian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 117168525

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol?
The IUPAC name of 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol (CID 10987066) is 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol.
What is the SMILES notation for 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol?
The canonical SMILES for 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol is OCC1CSCCC12OCCO2.
What is the InChIKey of 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol?
The InChIKey is VMFTXGABTLNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-5-7-6-12-4-1-8(7)10-2-3-11-8/h7,9H,1-6H2.
What are the key properties of 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol?
1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol has a molecular weight of 190.26 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-thiaspiro[4.5]decan-6-ylmethanol is sourced from PubChem (CID 10987066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).