decanedioic acid;nonane

C19H38O4 — CID 25154161

IUPACdecanedioic acid;nonane
SMILESCCCCCCCCC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H20/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);3-9H2,1-2H3
InChIKeyTVMNODRMUTWTNX-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.03
Rot. Bonds15

About decanedioic acid;nonane

decanedioic acid;nonane (PubChem CID 25154161) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is decanedioic acid;nonane.

Molecular Properties

Compound Namedecanedioic acid;nonane
PubChem CID25154161
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Namedecanedioic acid;nonane
SMILESCCCCCCCCC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H20/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);3-9H2,1-2H3
InChIKeyTVMNODRMUTWTNX-UHFFFAOYSA-N
XLogP6.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;nonane?
The IUPAC name of decanedioic acid;nonane (CID 25154161) is decanedioic acid;nonane.
What is the SMILES notation for decanedioic acid;nonane?
The canonical SMILES for decanedioic acid;nonane is CCCCCCCCC.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;nonane?
The InChIKey is TVMNODRMUTWTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C9H20/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-5-7-9-8-6-4-2/h1-8H2,(H,11,12)(H,13,14);3-9H2,1-2H3.
What are the key properties of decanedioic acid;nonane?
decanedioic acid;nonane has a molecular weight of 330.51 g/mol, XLogP of 6.03, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;nonane is sourced from PubChem (CID 25154161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).