1-propylsulfanylpentan-2-ol

C8H18OS — CID 65130016

IUPAC1-propylsulfanylpentan-2-ol
SMILESCCCSCC(O)CCC
InChIInChI=1S/C8H18OS/c1-3-5-8(9)7-10-6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyKGQOPLKXLCFAEV-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.29
Rot. Bonds6

About 1-propylsulfanylpentan-2-ol

1-propylsulfanylpentan-2-ol (PubChem CID 65130016) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-propylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-propylsulfanylpentan-2-ol
PubChem CID65130016
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-propylsulfanylpentan-2-ol
SMILESCCCSCC(O)CCC
InChIInChI=1S/C8H18OS/c1-3-5-8(9)7-10-6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyKGQOPLKXLCFAEV-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylpentan-2-ol?
The IUPAC name of 1-propylsulfanylpentan-2-ol (CID 65130016) is 1-propylsulfanylpentan-2-ol.
What is the SMILES notation for 1-propylsulfanylpentan-2-ol?
The canonical SMILES for 1-propylsulfanylpentan-2-ol is CCCSCC(O)CCC.
What is the InChIKey of 1-propylsulfanylpentan-2-ol?
The InChIKey is KGQOPLKXLCFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-3-5-8(9)7-10-6-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-propylsulfanylpentan-2-ol?
1-propylsulfanylpentan-2-ol has a molecular weight of 162.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylpentan-2-ol is sourced from PubChem (CID 65130016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).