carbonic acid;decanedioic acid

C12H22O10 — CID 159592525

IUPACcarbonic acid;decanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H18O4.2CH2O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*2-1(3)4/h1-8H2,(H,11,12)(H,13,14);2*(H2,2,3,4)
InChIKeyMKKOWLNMFMDUDL-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.72
Rot. Bonds9

About carbonic acid;decanedioic acid

carbonic acid;decanedioic acid (PubChem CID 159592525) has the molecular formula C12H22O10 and a molecular weight of 326.30 g/mol. Its IUPAC name is carbonic acid;decanedioic acid.

Molecular Properties

Compound Namecarbonic acid;decanedioic acid
PubChem CID159592525
Molecular FormulaC12H22O10
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Namecarbonic acid;decanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C10H18O4.2CH2O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*2-1(3)4/h1-8H2,(H,11,12)(H,13,14);2*(H2,2,3,4)
InChIKeyMKKOWLNMFMDUDL-UHFFFAOYSA-N
XLogP2.72
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.30
LogP ≤ 52.72
H-Bond Donors ≤ 56
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
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of carbonic acid;decanedioic acid?
The IUPAC name of carbonic acid;decanedioic acid (CID 159592525) is carbonic acid;decanedioic acid.
What is the SMILES notation for carbonic acid;decanedioic acid?
The canonical SMILES for carbonic acid;decanedioic acid is O=C(O)CCCCCCCCC(=O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;decanedioic acid?
The InChIKey is MKKOWLNMFMDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2CH2O3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*2-1(3)4/h1-8H2,(H,11,12)(H,13,14);2*(H2,2,3,4).
What are the key properties of carbonic acid;decanedioic acid?
carbonic acid;decanedioic acid has a molecular weight of 326.30 g/mol, XLogP of 2.72, 9 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;decanedioic acid is sourced from PubChem (CID 159592525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).