9-hydroxynonyl 8-bromooctanoate

C17H33BrO3 — CID 71420603

IUPAC9-hydroxynonyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OCCCCCCCCCO
InChIInChI=1S/C17H33BrO3/c18-14-10-6-4-5-9-13-17(20)21-16-12-8-3-1-2-7-11-15-19/h19H,1-16H2
InChIKeySAAHRTLNNFNKCL-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.99
Rot. Bonds16

About 9-hydroxynonyl 8-bromooctanoate

9-hydroxynonyl 8-bromooctanoate (PubChem CID 71420603) has the molecular formula C17H33BrO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 9-hydroxynonyl 8-bromooctanoate.

Molecular Properties

Compound Name9-hydroxynonyl 8-bromooctanoate
PubChem CID71420603
Molecular FormulaC17H33BrO3
Molecular Weight365.35 g/mol
Exact Mass364.16
IUPAC Name9-hydroxynonyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OCCCCCCCCCO
InChIInChI=1S/C17H33BrO3/c18-14-10-6-4-5-9-13-17(20)21-16-12-8-3-1-2-7-11-15-19/h19H,1-16H2
InChIKeySAAHRTLNNFNKCL-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
8-bromooctyl 7-bromoheptanoate
CID 102434527
10-bromodecyl 8-bromooctanoate
CID 71420607
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
2-(7-bromoheptanoyloxy)ethyl 7-bromoheptanoate
CID 176764920
bis(4-bromobutyl) butanedioate
CID 90257094
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375

Frequently Asked Questions

What is the IUPAC name of 9-hydroxynonyl 8-bromooctanoate?
The IUPAC name of 9-hydroxynonyl 8-bromooctanoate (CID 71420603) is 9-hydroxynonyl 8-bromooctanoate.
What is the SMILES notation for 9-hydroxynonyl 8-bromooctanoate?
The canonical SMILES for 9-hydroxynonyl 8-bromooctanoate is O=C(CCCCCCCBr)OCCCCCCCCCO.
What is the InChIKey of 9-hydroxynonyl 8-bromooctanoate?
The InChIKey is SAAHRTLNNFNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrO3/c18-14-10-6-4-5-9-13-17(20)21-16-12-8-3-1-2-7-11-15-19/h19H,1-16H2.
What are the key properties of 9-hydroxynonyl 8-bromooctanoate?
9-hydroxynonyl 8-bromooctanoate has a molecular weight of 365.35 g/mol, XLogP of 4.99, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynonyl 8-bromooctanoate is sourced from PubChem (CID 71420603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).