2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol

C11H24O2S2 — CID 89235171

IUPAC2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol
SMILESCCCSCC(CO)(CCCSC)OC
InChIInChI=1S/C11H24O2S2/c1-4-7-15-10-11(9-12,13-2)6-5-8-14-3/h12H,4-10H2,1-3H3
InChIKeyPKPBFPKFFCPBAP-UHFFFAOYSA-N
MW252.44 g/mol
LogP2.65
Rot. Bonds10

About 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol

2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol (PubChem CID 89235171) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol.

Molecular Properties

Compound Name2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol
PubChem CID89235171
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol
SMILESCCCSCC(CO)(CCCSC)OC
InChIInChI=1S/C11H24O2S2/c1-4-7-15-10-11(9-12,13-2)6-5-8-14-3/h12H,4-10H2,1-3H3
InChIKeyPKPBFPKFFCPBAP-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol?
The IUPAC name of 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol (CID 89235171) is 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol.
What is the SMILES notation for 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol?
The canonical SMILES for 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol is CCCSCC(CO)(CCCSC)OC.
What is the InChIKey of 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol?
The InChIKey is PKPBFPKFFCPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c1-4-7-15-10-11(9-12,13-2)6-5-8-14-3/h12H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol?
2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylsulfanyl-2-(propylsulfanylmethyl)pentan-1-ol is sourced from PubChem (CID 89235171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).