2-(1,3-dithian-2-yl)oxan-2-ol

C9H16O2S2 — CID 14295444

IUPAC2-(1,3-dithian-2-yl)oxan-2-ol
SMILESOC1(C2SCCCS2)CCCCO1
InChIInChI=1S/C9H16O2S2/c10-9(4-1-2-5-11-9)8-12-6-3-7-13-8/h8,10H,1-7H2
InChIKeyHRFDKPJWRYROST-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.07
Rot. Bonds1

About 2-(1,3-dithian-2-yl)oxan-2-ol

2-(1,3-dithian-2-yl)oxan-2-ol (PubChem CID 14295444) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)oxan-2-ol.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)oxan-2-ol
PubChem CID14295444
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name2-(1,3-dithian-2-yl)oxan-2-ol
SMILESOC1(C2SCCCS2)CCCCO1
InChIInChI=1S/C9H16O2S2/c10-9(4-1-2-5-11-9)8-12-6-3-7-13-8/h8,10H,1-7H2
InChIKeyHRFDKPJWRYROST-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8R)-8-(hydroxymethyl)-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
CID 10537811
8-Ethyl-9-oxa-1,5-dithiaspiro[5.5]undecan-10-ol
CID 10823613
2-[2-(Methylsulfanyl)-1,3-dithian-2-yl]oxan-2-ol
CID 14295443

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)oxan-2-ol?
The IUPAC name of 2-(1,3-dithian-2-yl)oxan-2-ol (CID 14295444) is 2-(1,3-dithian-2-yl)oxan-2-ol.
What is the SMILES notation for 2-(1,3-dithian-2-yl)oxan-2-ol?
The canonical SMILES for 2-(1,3-dithian-2-yl)oxan-2-ol is OC1(C2SCCCS2)CCCCO1.
What is the InChIKey of 2-(1,3-dithian-2-yl)oxan-2-ol?
The InChIKey is HRFDKPJWRYROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S2/c10-9(4-1-2-5-11-9)8-12-6-3-7-13-8/h8,10H,1-7H2.
What are the key properties of 2-(1,3-dithian-2-yl)oxan-2-ol?
2-(1,3-dithian-2-yl)oxan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)oxan-2-ol is sourced from PubChem (CID 14295444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).