decanedioic acid;ethylphosphane

C12H25O4P — CID 88661253

IUPACdecanedioic acid;ethylphosphane
SMILESCCP.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C2H7P/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3/h1-8H2,(H,11,12)(H,13,14);2-3H2,1H3
InChIKeySDJUEWPNNUPCEM-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.16
Rot. Bonds9

About decanedioic acid;ethylphosphane

decanedioic acid;ethylphosphane (PubChem CID 88661253) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is decanedioic acid;ethylphosphane.

Molecular Properties

Compound Namedecanedioic acid;ethylphosphane
PubChem CID88661253
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Namedecanedioic acid;ethylphosphane
SMILESCCP.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C2H7P/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3/h1-8H2,(H,11,12)(H,13,14);2-3H2,1H3
InChIKeySDJUEWPNNUPCEM-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
hexanoic acid;tetradecylphosphane
CID 175307671
octadecanoic acid
CID 157075632

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;ethylphosphane?
The IUPAC name of decanedioic acid;ethylphosphane (CID 88661253) is decanedioic acid;ethylphosphane.
What is the SMILES notation for decanedioic acid;ethylphosphane?
The canonical SMILES for decanedioic acid;ethylphosphane is CCP.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;ethylphosphane?
The InChIKey is SDJUEWPNNUPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C2H7P/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3/h1-8H2,(H,11,12)(H,13,14);2-3H2,1H3.
What are the key properties of decanedioic acid;ethylphosphane?
decanedioic acid;ethylphosphane has a molecular weight of 264.30 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;ethylphosphane is sourced from PubChem (CID 88661253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).