5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol

C11H22O2S — CID 103090029

IUPAC5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
SMILESCSCCCC(O)CC1CCOCC1
InChIInChI=1S/C11H22O2S/c1-14-8-2-3-11(12)9-10-4-6-13-7-5-10/h10-12H,2-9H2,1H3
InChIKeyOVGIXUDFTRCRQG-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.31
Rot. Bonds6

About 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol

5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol (PubChem CID 103090029) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
PubChem CID103090029
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
SMILESCSCCCC(O)CC1CCOCC1
InChIInChI=1S/C11H22O2S/c1-14-8-2-3-11(12)9-10-4-6-13-7-5-10/h10-12H,2-9H2,1H3
InChIKeyOVGIXUDFTRCRQG-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
CID 79087400
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
1-(oxan-4-yl)undecan-5-ol
CID 114191725
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
3-(oxan-4-ylmethylsulfanyl)propane-1,2-diol
CID 79683221

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol?
The IUPAC name of 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol (CID 103090029) is 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol.
What is the SMILES notation for 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol?
The canonical SMILES for 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol is CSCCCC(O)CC1CCOCC1.
What is the InChIKey of 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol?
The InChIKey is OVGIXUDFTRCRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-14-8-2-3-11(12)9-10-4-6-13-7-5-10/h10-12H,2-9H2,1H3.
What are the key properties of 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol?
5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol has a molecular weight of 218.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol is sourced from PubChem (CID 103090029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).