azane;8-(1,3,5-trioxan-2-yl)nonanoic acid

C12H25NO5 — CID 174910386

IUPACazane;8-(1,3,5-trioxan-2-yl)nonanoic acid
SMILESCC(CCCCCCC(=O)O)C1OCOCO1.N
InChIInChI=1S/C12H22O5.H3N/c1-10(12-16-8-15-9-17-12)6-4-2-3-5-7-11(13)14;/h10,12H,2-9H2,1H3,(H,13,14);1H3
InChIKeyBFEQUCXEGRDJAS-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.51
Rot. Bonds8

About azane;8-(1,3,5-trioxan-2-yl)nonanoic acid

azane;8-(1,3,5-trioxan-2-yl)nonanoic acid (PubChem CID 174910386) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is azane;8-(1,3,5-trioxan-2-yl)nonanoic acid.

Molecular Properties

Compound Nameazane;8-(1,3,5-trioxan-2-yl)nonanoic acid
PubChem CID174910386
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nameazane;8-(1,3,5-trioxan-2-yl)nonanoic acid
SMILESCC(CCCCCCC(=O)O)C1OCOCO1.N
InChIInChI=1S/C12H22O5.H3N/c1-10(12-16-8-15-9-17-12)6-4-2-3-5-7-11(13)14;/h10,12H,2-9H2,1H3,(H,13,14);1H3
InChIKeyBFEQUCXEGRDJAS-UHFFFAOYSA-N
XLogP2.51
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(10R,11R)-10,11-dihydroxydodecanoic acid
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copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
20-hydroxyhenicosanoic acid
CID 19591814
8-methylnonanoic acid;zinc
CID 175431403
iron;6-methylheptanoic acid;7-methyloctanoic acid
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19-hydroxyicosanoic acid
CID 14535566
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CID 22242436
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CID 87306551

Frequently Asked Questions

What is the IUPAC name of azane;8-(1,3,5-trioxan-2-yl)nonanoic acid?
The IUPAC name of azane;8-(1,3,5-trioxan-2-yl)nonanoic acid (CID 174910386) is azane;8-(1,3,5-trioxan-2-yl)nonanoic acid.
What is the SMILES notation for azane;8-(1,3,5-trioxan-2-yl)nonanoic acid?
The canonical SMILES for azane;8-(1,3,5-trioxan-2-yl)nonanoic acid is CC(CCCCCCC(=O)O)C1OCOCO1.N.
What is the InChIKey of azane;8-(1,3,5-trioxan-2-yl)nonanoic acid?
The InChIKey is BFEQUCXEGRDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5.H3N/c1-10(12-16-8-15-9-17-12)6-4-2-3-5-7-11(13)14;/h10,12H,2-9H2,1H3,(H,13,14);1H3.
What are the key properties of azane;8-(1,3,5-trioxan-2-yl)nonanoic acid?
azane;8-(1,3,5-trioxan-2-yl)nonanoic acid has a molecular weight of 263.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;8-(1,3,5-trioxan-2-yl)nonanoic acid is sourced from PubChem (CID 174910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).