azane;decanedioic acid;tetrahydrate

C10H32N2O8 — CID 175249510

IUPACazane;decanedioic acid;tetrahydrate
SMILESN.N.O.O.O.O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2
InChIKeyXNHXAALRHCSTKK-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.70
Rot. Bonds9

About azane;decanedioic acid;tetrahydrate

azane;decanedioic acid;tetrahydrate (PubChem CID 175249510) has the molecular formula C10H32N2O8 and a molecular weight of 308.37 g/mol. Its IUPAC name is azane;decanedioic acid;tetrahydrate.

Molecular Properties

Compound Nameazane;decanedioic acid;tetrahydrate
PubChem CID175249510
Molecular FormulaC10H32N2O8
Molecular Weight308.37 g/mol
Exact Mass308.22
IUPAC Nameazane;decanedioic acid;tetrahydrate
SMILESN.N.O.O.O.O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2
InChIKeyXNHXAALRHCSTKK-UHFFFAOYSA-N
XLogP-0.70
TPSA270.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of azane;decanedioic acid;tetrahydrate?
The IUPAC name of azane;decanedioic acid;tetrahydrate (CID 175249510) is azane;decanedioic acid;tetrahydrate.
What is the SMILES notation for azane;decanedioic acid;tetrahydrate?
The canonical SMILES for azane;decanedioic acid;tetrahydrate is N.N.O.O.O.O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of azane;decanedioic acid;tetrahydrate?
The InChIKey is XNHXAALRHCSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2.
What are the key properties of azane;decanedioic acid;tetrahydrate?
azane;decanedioic acid;tetrahydrate has a molecular weight of 308.37 g/mol, XLogP of -0.70, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decanedioic acid;tetrahydrate is sourced from PubChem (CID 175249510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).