1-(3-butylsulfanylpropoxy)propan-1-ol

C10H22O2S — CID 88784698

IUPAC1-(3-butylsulfanylpropoxy)propan-1-ol
SMILESCCCCSCCCOC(O)CC
InChIInChI=1S/C10H22O2S/c1-3-5-8-13-9-6-7-12-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyMKDPDYFOOIGCTL-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.65
Rot. Bonds9

About 1-(3-butylsulfanylpropoxy)propan-1-ol

1-(3-butylsulfanylpropoxy)propan-1-ol (PubChem CID 88784698) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-(3-butylsulfanylpropoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3-butylsulfanylpropoxy)propan-1-ol
PubChem CID88784698
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-(3-butylsulfanylpropoxy)propan-1-ol
SMILESCCCCSCCCOC(O)CC
InChIInChI=1S/C10H22O2S/c1-3-5-8-13-9-6-7-12-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKeyMKDPDYFOOIGCTL-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-butylsulfanylpropoxy)propan-1-ol?
The IUPAC name of 1-(3-butylsulfanylpropoxy)propan-1-ol (CID 88784698) is 1-(3-butylsulfanylpropoxy)propan-1-ol.
What is the SMILES notation for 1-(3-butylsulfanylpropoxy)propan-1-ol?
The canonical SMILES for 1-(3-butylsulfanylpropoxy)propan-1-ol is CCCCSCCCOC(O)CC.
What is the InChIKey of 1-(3-butylsulfanylpropoxy)propan-1-ol?
The InChIKey is MKDPDYFOOIGCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-3-5-8-13-9-6-7-12-10(11)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-butylsulfanylpropoxy)propan-1-ol?
1-(3-butylsulfanylpropoxy)propan-1-ol has a molecular weight of 206.35 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylsulfanylpropoxy)propan-1-ol is sourced from PubChem (CID 88784698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).