1-propylsulfanyloctan-2-ol

C11H24OS — CID 65130128

IUPAC1-propylsulfanyloctan-2-ol
SMILESCCCCCCC(O)CSCCC
InChIInChI=1S/C11H24OS/c1-3-5-6-7-8-11(12)10-13-9-4-2/h11-12H,3-10H2,1-2H3
InChIKeyCUIPBPUKGDZTQC-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.46
Rot. Bonds9

About 1-propylsulfanyloctan-2-ol

1-propylsulfanyloctan-2-ol (PubChem CID 65130128) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 1-propylsulfanyloctan-2-ol.

Molecular Properties

Compound Name1-propylsulfanyloctan-2-ol
PubChem CID65130128
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name1-propylsulfanyloctan-2-ol
SMILESCCCCCCC(O)CSCCC
InChIInChI=1S/C11H24OS/c1-3-5-6-7-8-11(12)10-13-9-4-2/h11-12H,3-10H2,1-2H3
InChIKeyCUIPBPUKGDZTQC-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propylsulfanylundecan-2-amine
CID 65129364
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
[(2S)-2-hydroxy-3-octylsulfanylpropyl]-trimethylazanium
CID 98158206
[(2R)-2-hydroxy-3-octylsulfanylpropyl]-trimethylazanium
CID 98158205
1-(3-piperidin-1-ylpropylsulfanyl)octadecan-2-ol;hydrochloride
CID 70616867

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanyloctan-2-ol?
The IUPAC name of 1-propylsulfanyloctan-2-ol (CID 65130128) is 1-propylsulfanyloctan-2-ol.
What is the SMILES notation for 1-propylsulfanyloctan-2-ol?
The canonical SMILES for 1-propylsulfanyloctan-2-ol is CCCCCCC(O)CSCCC.
What is the InChIKey of 1-propylsulfanyloctan-2-ol?
The InChIKey is CUIPBPUKGDZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-3-5-6-7-8-11(12)10-13-9-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-propylsulfanyloctan-2-ol?
1-propylsulfanyloctan-2-ol has a molecular weight of 204.38 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanyloctan-2-ol is sourced from PubChem (CID 65130128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).