decanedioic acid;thiophene

C14H22O4S — CID 174517613

IUPACdecanedioic acid;thiophene
SMILESO=C(O)CCCCCCCCC(=O)O.c1ccsc1
InChIInChI=1S/C10H18O4.C4H4S/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-5-3-1/h1-8H2,(H,11,12)(H,13,14);1-4H
InChIKeyJKBHQVATBXTMEQ-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.02
Rot. Bonds9

About decanedioic acid;thiophene

decanedioic acid;thiophene (PubChem CID 174517613) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is decanedioic acid;thiophene.

Molecular Properties

Compound Namedecanedioic acid;thiophene
PubChem CID174517613
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Namedecanedioic acid;thiophene
SMILESO=C(O)CCCCCCCCC(=O)O.c1ccsc1
InChIInChI=1S/C10H18O4.C4H4S/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-5-3-1/h1-8H2,(H,11,12)(H,13,14);1-4H
InChIKeyJKBHQVATBXTMEQ-UHFFFAOYSA-N
XLogP4.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 decanedioic acid;thiophene?
The IUPAC name of decanedioic acid;thiophene (CID 174517613) is decanedioic acid;thiophene.
What is the SMILES notation for decanedioic acid;thiophene?
The canonical SMILES for decanedioic acid;thiophene is O=C(O)CCCCCCCCC(=O)O.c1ccsc1.
What is the InChIKey of decanedioic acid;thiophene?
The InChIKey is JKBHQVATBXTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C4H4S/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-4-5-3-1/h1-8H2,(H,11,12)(H,13,14);1-4H.
What are the key properties of decanedioic acid;thiophene?
decanedioic acid;thiophene has a molecular weight of 286.39 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;thiophene is sourced from PubChem (CID 174517613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).