(E)-but-2-enedioic acid;decane-1,10-diol

C14H26O6 — CID 175360158

IUPAC(E)-but-2-enedioic acid;decane-1,10-diol
SMILESO=C(O)/C=C/C(=O)O.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.C4H4O4/c11-9-7-5-3-1-2-4-6-8-10-12;5-3(6)1-2-4(7)8/h11-12H,1-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyKWMSJBQQSRWOEM-WLHGVMLRSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds11

About (E)-but-2-enedioic acid;decane-1,10-diol

(E)-but-2-enedioic acid;decane-1,10-diol (PubChem CID 175360158) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;decane-1,10-diol.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;decane-1,10-diol
PubChem CID175360158
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(E)-but-2-enedioic acid;decane-1,10-diol
SMILESO=C(O)/C=C/C(=O)O.OCCCCCCCCCCO
InChIInChI=1S/C10H22O2.C4H4O4/c11-9-7-5-3-1-2-4-6-8-10-12;5-3(6)1-2-4(7)8/h11-12H,1-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyKWMSJBQQSRWOEM-WLHGVMLRSA-N
XLogP1.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-2-enoic acid;octane-1,8-diol
CID 175483633
tris(but-2-enedioic acid);ethane-1,2-diol
CID 158068742
tetrakis((Z)-but-2-enedioic acid);ethane-1,2-diol
CID 175057251
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(Z)-4-(10-hydroxydecoxy)-4-oxobut-2-enoic acid
CID 175609244
carbonic acid;pentane-1,5-diol
CID 175517734
carbonic acid;decane-1,10-diol
CID 174976292
(Z)-7-hydroxy-4-oxohept-2-enoic acid
CID 158566518
(Z)-but-2-enedioic acid;4-hydroxybutane-1-sulfonic acid
CID 174906570
4-(4-hydroxybutoxy)-4-oxobut-2-enoic acid
CID 54424578
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
20-hydroxyicosa-2,5-dienoic acid
CID 91232457

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;decane-1,10-diol?
The IUPAC name of (E)-but-2-enedioic acid;decane-1,10-diol (CID 175360158) is (E)-but-2-enedioic acid;decane-1,10-diol.
What is the SMILES notation for (E)-but-2-enedioic acid;decane-1,10-diol?
The canonical SMILES for (E)-but-2-enedioic acid;decane-1,10-diol is O=C(O)/C=C/C(=O)O.OCCCCCCCCCCO.
What is the InChIKey of (E)-but-2-enedioic acid;decane-1,10-diol?
The InChIKey is KWMSJBQQSRWOEM-WLHGVMLRSA-N. The full InChI is InChI=1S/C10H22O2.C4H4O4/c11-9-7-5-3-1-2-4-6-8-10-12;5-3(6)1-2-4(7)8/h11-12H,1-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;decane-1,10-diol?
(E)-but-2-enedioic acid;decane-1,10-diol has a molecular weight of 290.36 g/mol, XLogP of 1.80, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;decane-1,10-diol is sourced from PubChem (CID 175360158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).