6-propan-2-ylsulfanylhexan-1-ol

C9H20OS — CID 54550759

IUPAC6-propan-2-ylsulfanylhexan-1-ol
SMILESCC(C)SCCCCCCO
InChIInChI=1S/C9H20OS/c1-9(2)11-8-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySYNWOSQWQLUXTL-UHFFFAOYSA-N
MW176.33 g/mol
LogP2.68
Rot. Bonds7

About 6-propan-2-ylsulfanylhexan-1-ol

6-propan-2-ylsulfanylhexan-1-ol (PubChem CID 54550759) has the molecular formula C9H20OS and a molecular weight of 176.33 g/mol. Its IUPAC name is 6-propan-2-ylsulfanylhexan-1-ol.

Molecular Properties

Compound Name6-propan-2-ylsulfanylhexan-1-ol
PubChem CID54550759
Molecular FormulaC9H20OS
Molecular Weight176.33 g/mol
Exact Mass176.12
IUPAC Name6-propan-2-ylsulfanylhexan-1-ol
SMILESCC(C)SCCCCCCO
InChIInChI=1S/C9H20OS/c1-9(2)11-8-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySYNWOSQWQLUXTL-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 52.68
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 6-propan-2-ylsulfanylhexan-1-ol?
The IUPAC name of 6-propan-2-ylsulfanylhexan-1-ol (CID 54550759) is 6-propan-2-ylsulfanylhexan-1-ol.
What is the SMILES notation for 6-propan-2-ylsulfanylhexan-1-ol?
The canonical SMILES for 6-propan-2-ylsulfanylhexan-1-ol is CC(C)SCCCCCCO.
What is the InChIKey of 6-propan-2-ylsulfanylhexan-1-ol?
The InChIKey is SYNWOSQWQLUXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-9(2)11-8-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfanylhexan-1-ol?
6-propan-2-ylsulfanylhexan-1-ol has a molecular weight of 176.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanylhexan-1-ol is sourced from PubChem (CID 54550759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).