2,2,3-tribromodecan-1-ol

C10H19Br3O — CID 141280818

IUPAC2,2,3-tribromodecan-1-ol
SMILESCCCCCCCC(Br)C(Br)(Br)CO
InChIInChI=1S/C10H19Br3O/c1-2-3-4-5-6-7-9(11)10(12,13)8-14/h9,14H,2-8H2,1H3
InChIKeyPOLUZQSLPDYGGH-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.59
Rot. Bonds8

About 2,2,3-tribromodecan-1-ol

2,2,3-tribromodecan-1-ol (PubChem CID 141280818) has the molecular formula C10H19Br3O and a molecular weight of 394.97 g/mol. Its IUPAC name is 2,2,3-tribromodecan-1-ol.

Molecular Properties

Compound Name2,2,3-tribromodecan-1-ol
PubChem CID141280818
Molecular FormulaC10H19Br3O
Molecular Weight394.97 g/mol
Exact Mass391.90
IUPAC Name2,2,3-tribromodecan-1-ol
SMILESCCCCCCCC(Br)C(Br)(Br)CO
InChIInChI=1S/C10H19Br3O/c1-2-3-4-5-6-7-9(11)10(12,13)8-14/h9,14H,2-8H2,1H3
InChIKeyPOLUZQSLPDYGGH-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.59
H-Bond Donors ≤ 51
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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Related Compounds

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1-bromohexadecan-1-ol
CID 22463419
3-bromoundecan-1-ol
CID 162349376
12-bromodotriacontane
CID 122613066
6-bromopentadecane
CID 86639780
2-bromo-1,1-difluoro-1-methylsulfanylundecane
CID 10903197
2-bromopentatriacontanoic acid
CID 141388302
2,3-dibromonon-1-ene-1,1-diol
CID 118275906
(2R)-2-bromoundecanoic acid
CID 98062248
2-heptadecan-2-yl-2-(hydroxymethyl)propane-1,3-diol
CID 175092551

Frequently Asked Questions

What is the IUPAC name of 2,2,3-tribromodecan-1-ol?
The IUPAC name of 2,2,3-tribromodecan-1-ol (CID 141280818) is 2,2,3-tribromodecan-1-ol.
What is the SMILES notation for 2,2,3-tribromodecan-1-ol?
The canonical SMILES for 2,2,3-tribromodecan-1-ol is CCCCCCCC(Br)C(Br)(Br)CO.
What is the InChIKey of 2,2,3-tribromodecan-1-ol?
The InChIKey is POLUZQSLPDYGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br3O/c1-2-3-4-5-6-7-9(11)10(12,13)8-14/h9,14H,2-8H2,1H3.
What are the key properties of 2,2,3-tribromodecan-1-ol?
2,2,3-tribromodecan-1-ol has a molecular weight of 394.97 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tribromodecan-1-ol is sourced from PubChem (CID 141280818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).