5-(6-bromohexylsulfanyl)pentan-1-ol

C11H23BrOS — CID 142704924

IUPAC5-(6-bromohexylsulfanyl)pentan-1-ol
SMILESOCCCCCSCCCCCCBr
InChIInChI=1S/C11H23BrOS/c12-8-4-1-2-6-10-14-11-7-3-5-9-13/h13H,1-11H2
InChIKeyDWMRMGYHIAJGRH-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.84
Rot. Bonds11

About 5-(6-bromohexylsulfanyl)pentan-1-ol

5-(6-bromohexylsulfanyl)pentan-1-ol (PubChem CID 142704924) has the molecular formula C11H23BrOS and a molecular weight of 283.27 g/mol. Its IUPAC name is 5-(6-bromohexylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5-(6-bromohexylsulfanyl)pentan-1-ol
PubChem CID142704924
Molecular FormulaC11H23BrOS
Molecular Weight283.27 g/mol
Exact Mass282.07
IUPAC Name5-(6-bromohexylsulfanyl)pentan-1-ol
SMILESOCCCCCSCCCCCCBr
InChIInChI=1S/C11H23BrOS/c12-8-4-1-2-6-10-14-11-7-3-5-9-13/h13H,1-11H2
InChIKeyDWMRMGYHIAJGRH-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
16-bromohexadecan-1-ol
CID 2757013
1-bromo-8-hexylsulfanyloctane
CID 19830738
8-pentylsulfanyloctan-1-ol
CID 86658436
5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
CID 101478203
5-(aminomethylsulfanyl)pentan-1-ol
CID 163537686
1-bromo-4-propylsulfanylbutane
CID 43445847
3-bromopropan-1-ol
CID 159919052
8-(6-hydroxyhexylsulfanyl)octanoic acid
CID 122401769
1-bromo-9-(5,5,5-trifluoropentylsulfanyl)nonane
CID 177335602
6-(5-hydroxypentylsulfanyl)hexanoic acid
CID 57108530
(Z)-21-bromohenicos-11-en-1-ol
CID 134982012

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromohexylsulfanyl)pentan-1-ol?
The IUPAC name of 5-(6-bromohexylsulfanyl)pentan-1-ol (CID 142704924) is 5-(6-bromohexylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(6-bromohexylsulfanyl)pentan-1-ol?
The canonical SMILES for 5-(6-bromohexylsulfanyl)pentan-1-ol is OCCCCCSCCCCCCBr.
What is the InChIKey of 5-(6-bromohexylsulfanyl)pentan-1-ol?
The InChIKey is DWMRMGYHIAJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrOS/c12-8-4-1-2-6-10-14-11-7-3-5-9-13/h13H,1-11H2.
What are the key properties of 5-(6-bromohexylsulfanyl)pentan-1-ol?
5-(6-bromohexylsulfanyl)pentan-1-ol has a molecular weight of 283.27 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromohexylsulfanyl)pentan-1-ol is sourced from PubChem (CID 142704924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).