1-bromo-10-pentylsulfinyldecane

C15H31BrOS — CID 18679827

IUPAC1-bromo-10-pentylsulfinyldecane
SMILESCCCCCS(=O)CCCCCCCCCCBr
InChIInChI=1S/C15H31BrOS/c1-2-3-11-14-18(17)15-12-9-7-5-4-6-8-10-13-16/h2-15H2,1H3
InChIKeyRJEQKBDPWMPEIE-UHFFFAOYSA-N
MW339.38 g/mol
LogP5.44
Rot. Bonds14

About 1-bromo-10-pentylsulfinyldecane

1-bromo-10-pentylsulfinyldecane (PubChem CID 18679827) has the molecular formula C15H31BrOS and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-bromo-10-pentylsulfinyldecane.

Molecular Properties

Compound Name1-bromo-10-pentylsulfinyldecane
PubChem CID18679827
Molecular FormulaC15H31BrOS
Molecular Weight339.38 g/mol
Exact Mass338.13
IUPAC Name1-bromo-10-pentylsulfinyldecane
SMILESCCCCCS(=O)CCCCCCCCCCBr
InChIInChI=1S/C15H31BrOS/c1-2-3-11-14-18(17)15-12-9-7-5-4-6-8-10-13-16/h2-15H2,1H3
InChIKeyRJEQKBDPWMPEIE-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-pentylsulfinyldecane?
The IUPAC name of 1-bromo-10-pentylsulfinyldecane (CID 18679827) is 1-bromo-10-pentylsulfinyldecane.
What is the SMILES notation for 1-bromo-10-pentylsulfinyldecane?
The canonical SMILES for 1-bromo-10-pentylsulfinyldecane is CCCCCS(=O)CCCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-pentylsulfinyldecane?
The InChIKey is RJEQKBDPWMPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrOS/c1-2-3-11-14-18(17)15-12-9-7-5-4-6-8-10-13-16/h2-15H2,1H3.
What are the key properties of 1-bromo-10-pentylsulfinyldecane?
1-bromo-10-pentylsulfinyldecane has a molecular weight of 339.38 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-pentylsulfinyldecane is sourced from PubChem (CID 18679827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).