5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol

C11H22O2S — CID 83161653

IUPAC5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol
SMILESCC(C)CCCC(O)C1CSCCO1
InChIInChI=1S/C11H22O2S/c1-9(2)4-3-5-10(12)11-8-14-7-6-13-11/h9-12H,3-8H2,1-2H3
InChIKeyWXIVMSGVFYVAHT-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.31
Rot. Bonds5

About 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol

5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol (PubChem CID 83161653) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol
PubChem CID83161653
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol
SMILESCC(C)CCCC(O)C1CSCCO1
InChIInChI=1S/C11H22O2S/c1-9(2)4-3-5-10(12)11-8-14-7-6-13-11/h9-12H,3-8H2,1-2H3
InChIKeyWXIVMSGVFYVAHT-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol?
The IUPAC name of 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol (CID 83161653) is 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol.
What is the SMILES notation for 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol?
The canonical SMILES for 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol is CC(C)CCCC(O)C1CSCCO1.
What is the InChIKey of 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol?
The InChIKey is WXIVMSGVFYVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-9(2)4-3-5-10(12)11-8-14-7-6-13-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol?
5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol has a molecular weight of 218.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,4-oxathian-2-yl)hexan-1-ol is sourced from PubChem (CID 83161653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).