1-(1-hydroxypentylsulfanyl)pentan-1-ol

C10H22O2S — CID 19078211

IUPAC1-(1-hydroxypentylsulfanyl)pentan-1-ol
SMILESCCCCC(O)SC(O)CCCC
InChIInChI=1S/C10H22O2S/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyLTFQZARMZRHPDP-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.74
Rot. Bonds8

About 1-(1-hydroxypentylsulfanyl)pentan-1-ol

1-(1-hydroxypentylsulfanyl)pentan-1-ol (PubChem CID 19078211) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-(1-hydroxypentylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxypentylsulfanyl)pentan-1-ol
PubChem CID19078211
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-(1-hydroxypentylsulfanyl)pentan-1-ol
SMILESCCCCC(O)SC(O)CCCC
InChIInChI=1S/C10H22O2S/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyLTFQZARMZRHPDP-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentylsulfanyl)pentan-1-ol?
The IUPAC name of 1-(1-hydroxypentylsulfanyl)pentan-1-ol (CID 19078211) is 1-(1-hydroxypentylsulfanyl)pentan-1-ol.
What is the SMILES notation for 1-(1-hydroxypentylsulfanyl)pentan-1-ol?
The canonical SMILES for 1-(1-hydroxypentylsulfanyl)pentan-1-ol is CCCCC(O)SC(O)CCCC.
What is the InChIKey of 1-(1-hydroxypentylsulfanyl)pentan-1-ol?
The InChIKey is LTFQZARMZRHPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(1-hydroxypentylsulfanyl)pentan-1-ol?
1-(1-hydroxypentylsulfanyl)pentan-1-ol has a molecular weight of 206.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentylsulfanyl)pentan-1-ol is sourced from PubChem (CID 19078211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).