5-(2-methylpropylsulfanyl)pentan-1-ol

C9H20OS — CID 54114392

IUPAC5-(2-methylpropylsulfanyl)pentan-1-ol
SMILESCC(C)CSCCCCCO
InChIInChI=1S/C9H20OS/c1-9(2)8-11-7-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyHFRBEBFKPYVLND-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.54
Rot. Bonds7

About 5-(2-methylpropylsulfanyl)pentan-1-ol

5-(2-methylpropylsulfanyl)pentan-1-ol (PubChem CID 54114392) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 5-(2-methylpropylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-methylpropylsulfanyl)pentan-1-ol
PubChem CID54114392
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name5-(2-methylpropylsulfanyl)pentan-1-ol
SMILESCC(C)CSCCCCCO
InChIInChI=1S/C9H20OS/c1-9(2)8-11-7-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyHFRBEBFKPYVLND-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-methylpropylsulfanyl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfanyl)pentan-1-ol?
The IUPAC name of 5-(2-methylpropylsulfanyl)pentan-1-ol (CID 54114392) is 5-(2-methylpropylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(2-methylpropylsulfanyl)pentan-1-ol?
The canonical SMILES for 5-(2-methylpropylsulfanyl)pentan-1-ol is CC(C)CSCCCCCO.
What is the InChIKey of 5-(2-methylpropylsulfanyl)pentan-1-ol?
The InChIKey is HFRBEBFKPYVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-9(2)8-11-7-5-3-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(2-methylpropylsulfanyl)pentan-1-ol?
5-(2-methylpropylsulfanyl)pentan-1-ol has a molecular weight of 176.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfanyl)pentan-1-ol is sourced from PubChem (CID 54114392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).