1-methoxy-1-propylsulfanyldecane

C14H30OS — CID 134999498

IUPAC1-methoxy-1-propylsulfanyldecane
SMILESCCCCCCCCCC(OC)SCCC
InChIInChI=1S/C14H30OS/c1-4-6-7-8-9-10-11-12-14(15-3)16-13-5-2/h14H,4-13H2,1-3H3
InChIKeyMQQHYSCVPVGVBE-UHFFFAOYSA-N
MW246.46 g/mol
LogP5.24
Rot. Bonds12

About 1-methoxy-1-propylsulfanyldecane

1-methoxy-1-propylsulfanyldecane (PubChem CID 134999498) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is 1-methoxy-1-propylsulfanyldecane.

Molecular Properties

Compound Name1-methoxy-1-propylsulfanyldecane
PubChem CID134999498
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Name1-methoxy-1-propylsulfanyldecane
SMILESCCCCCCCCCC(OC)SCCC
InChIInChI=1S/C14H30OS/c1-4-6-7-8-9-10-11-12-14(15-3)16-13-5-2/h14H,4-13H2,1-3H3
InChIKeyMQQHYSCVPVGVBE-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-1-propylsulfanyldecane?
The IUPAC name of 1-methoxy-1-propylsulfanyldecane (CID 134999498) is 1-methoxy-1-propylsulfanyldecane.
What is the SMILES notation for 1-methoxy-1-propylsulfanyldecane?
The canonical SMILES for 1-methoxy-1-propylsulfanyldecane is CCCCCCCCCC(OC)SCCC.
What is the InChIKey of 1-methoxy-1-propylsulfanyldecane?
The InChIKey is MQQHYSCVPVGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OS/c1-4-6-7-8-9-10-11-12-14(15-3)16-13-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 1-methoxy-1-propylsulfanyldecane?
1-methoxy-1-propylsulfanyldecane has a molecular weight of 246.46 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-propylsulfanyldecane is sourced from PubChem (CID 134999498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).