decanedioic acid;icosanedioic acid

C30H56O8 — CID 161217033

IUPACdecanedioic acid;icosanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O4.C10H18O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-18H2,(H,21,22)(H,23,24);1-8H2,(H,11,12)(H,13,14)
InChIKeyUWZSSMVMZXCQRR-UHFFFAOYSA-N
MW544.77 g/mol
LogP8.45
Rot. Bonds28

About decanedioic acid;icosanedioic acid

decanedioic acid;icosanedioic acid (PubChem CID 161217033) has the molecular formula C30H56O8 and a molecular weight of 544.77 g/mol. Its IUPAC name is decanedioic acid;icosanedioic acid.

Molecular Properties

Compound Namedecanedioic acid;icosanedioic acid
PubChem CID161217033
Molecular FormulaC30H56O8
Molecular Weight544.77 g/mol
Exact Mass544.40
IUPAC Namedecanedioic acid;icosanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O4.C10H18O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-18H2,(H,21,22)(H,23,24);1-8H2,(H,11,12)(H,13,14)
InChIKeyUWZSSMVMZXCQRR-UHFFFAOYSA-N
XLogP8.45
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.77
LogP ≤ 58.45
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

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
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923
azane;tridecanedioic acid
CID 174979532

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;icosanedioic acid?
The IUPAC name of decanedioic acid;icosanedioic acid (CID 161217033) is decanedioic acid;icosanedioic acid.
What is the SMILES notation for decanedioic acid;icosanedioic acid?
The canonical SMILES for decanedioic acid;icosanedioic acid is O=C(O)CCCCCCCCC(=O)O.O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;icosanedioic acid?
The InChIKey is UWZSSMVMZXCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4.C10H18O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-18H2,(H,21,22)(H,23,24);1-8H2,(H,11,12)(H,13,14).
What are the key properties of decanedioic acid;icosanedioic acid?
decanedioic acid;icosanedioic acid has a molecular weight of 544.77 g/mol, XLogP of 8.45, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;icosanedioic acid is sourced from PubChem (CID 161217033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).