1,4-oxathian-2-yl(oxolan-3-yl)methanol

C9H16O3S — CID 79963788

IUPAC1,4-oxathian-2-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1CSCCO1
InChIInChI=1S/C9H16O3S/c10-9(7-1-2-11-5-7)8-6-13-4-3-12-8/h7-10H,1-6H2
InChIKeyHTXKVSASNDUZGO-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.52
Rot. Bonds2

About 1,4-oxathian-2-yl(oxolan-3-yl)methanol

1,4-oxathian-2-yl(oxolan-3-yl)methanol (PubChem CID 79963788) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1,4-oxathian-2-yl(oxolan-3-yl)methanol.

Molecular Properties

Compound Name1,4-oxathian-2-yl(oxolan-3-yl)methanol
PubChem CID79963788
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name1,4-oxathian-2-yl(oxolan-3-yl)methanol
SMILESOC(C1CCOC1)C1CSCCO1
InChIInChI=1S/C9H16O3S/c10-9(7-1-2-11-5-7)8-6-13-4-3-12-8/h7-10H,1-6H2
InChIKeyHTXKVSASNDUZGO-UHFFFAOYSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-oxathian-2-yl(oxolan-3-yl)methanamine
CID 79963411
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
1,4-dioxan-2-yl(oxolan-3-yl)methanol
CID 65350803
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
[cyclopentyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249541
[cycloheptyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249607
2-amino-2-methyl-1-(oxolan-3-yl)propan-1-ol
CID 66037864
oxolan-3-yl(piperidin-4-yl)methanol
CID 80560253
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096
[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105249551
(4-tert-butylcyclohexyl)-(oxolan-3-yl)methanol
CID 65400319

Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-yl(oxolan-3-yl)methanol?
The IUPAC name of 1,4-oxathian-2-yl(oxolan-3-yl)methanol (CID 79963788) is 1,4-oxathian-2-yl(oxolan-3-yl)methanol.
What is the SMILES notation for 1,4-oxathian-2-yl(oxolan-3-yl)methanol?
The canonical SMILES for 1,4-oxathian-2-yl(oxolan-3-yl)methanol is OC(C1CCOC1)C1CSCCO1.
What is the InChIKey of 1,4-oxathian-2-yl(oxolan-3-yl)methanol?
The InChIKey is HTXKVSASNDUZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c10-9(7-1-2-11-5-7)8-6-13-4-3-12-8/h7-10H,1-6H2.
What are the key properties of 1,4-oxathian-2-yl(oxolan-3-yl)methanol?
1,4-oxathian-2-yl(oxolan-3-yl)methanol has a molecular weight of 204.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathian-2-yl(oxolan-3-yl)methanol is sourced from PubChem (CID 79963788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).