5-(1,4-oxathian-3-yl)nonan-5-ol

C13H26O2S — CID 11299601

IUPAC5-(1,4-oxathian-3-yl)nonan-5-ol
SMILESCCCCC(O)(CCCC)C1COCCS1
InChIInChI=1S/C13H26O2S/c1-3-5-7-13(14,8-6-4-2)12-11-15-9-10-16-12/h12,14H,3-11H2,1-2H3
InChIKeyIZDWMAVPSOEREC-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.23
Rot. Bonds7

About 5-(1,4-oxathian-3-yl)nonan-5-ol

5-(1,4-oxathian-3-yl)nonan-5-ol (PubChem CID 11299601) has the molecular formula C13H26O2S and a molecular weight of 246.42 g/mol. Its IUPAC name is 5-(1,4-oxathian-3-yl)nonan-5-ol.

Molecular Properties

Compound Name5-(1,4-oxathian-3-yl)nonan-5-ol
PubChem CID11299601
Molecular FormulaC13H26O2S
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name5-(1,4-oxathian-3-yl)nonan-5-ol
SMILESCCCCC(O)(CCCC)C1COCCS1
InChIInChI=1S/C13H26O2S/c1-3-5-7-13(14,8-6-4-2)12-11-15-9-10-16-12/h12,14H,3-11H2,1-2H3
InChIKeyIZDWMAVPSOEREC-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-oxathian-3-yl)nonan-5-ol?
The IUPAC name of 5-(1,4-oxathian-3-yl)nonan-5-ol (CID 11299601) is 5-(1,4-oxathian-3-yl)nonan-5-ol.
What is the SMILES notation for 5-(1,4-oxathian-3-yl)nonan-5-ol?
The canonical SMILES for 5-(1,4-oxathian-3-yl)nonan-5-ol is CCCCC(O)(CCCC)C1COCCS1.
What is the InChIKey of 5-(1,4-oxathian-3-yl)nonan-5-ol?
The InChIKey is IZDWMAVPSOEREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2S/c1-3-5-7-13(14,8-6-4-2)12-11-15-9-10-16-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 5-(1,4-oxathian-3-yl)nonan-5-ol?
5-(1,4-oxathian-3-yl)nonan-5-ol has a molecular weight of 246.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-oxathian-3-yl)nonan-5-ol is sourced from PubChem (CID 11299601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).