(Z)-undec-2-enedioic acid

C11H18O4 — CID 59435158

IUPAC(Z)-undec-2-enedioic acid
SMILESO=C(O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C11H18O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h6,8H,1-5,7,9H2,(H,12,13)(H,14,15)/b8-6-
InChIKeyPRHYKPOPIDLQKJ-VURMDHGXSA-N
MW214.26 g/mol
LogP2.44
Rot. Bonds9

About (Z)-undec-2-enedioic acid

(Z)-undec-2-enedioic acid (PubChem CID 59435158) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-undec-2-enedioic acid.

Molecular Properties

Compound Name(Z)-undec-2-enedioic acid
PubChem CID59435158
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(Z)-undec-2-enedioic acid
SMILESO=C(O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C11H18O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h6,8H,1-5,7,9H2,(H,12,13)(H,14,15)/b8-6-
InChIKeyPRHYKPOPIDLQKJ-VURMDHGXSA-N
XLogP2.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
tetradec-2-enoic acid;(Z)-tetradec-9-enoic acid
CID 87262111
8-methylhexadec-2-enedioic acid
CID 150047920
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
(2E,4E)-undeca-2,4-dienedioic acid
CID 87404972
hexan-1-ol;non-2-enedioic acid
CID 174499923
tetradeca-2,4,6-trienedioic acid
CID 123267309
(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
CID 87404974

Frequently Asked Questions

What is the IUPAC name of (Z)-undec-2-enedioic acid?
The IUPAC name of (Z)-undec-2-enedioic acid (CID 59435158) is (Z)-undec-2-enedioic acid.
What is the SMILES notation for (Z)-undec-2-enedioic acid?
The canonical SMILES for (Z)-undec-2-enedioic acid is O=C(O)/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-undec-2-enedioic acid?
The InChIKey is PRHYKPOPIDLQKJ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h6,8H,1-5,7,9H2,(H,12,13)(H,14,15)/b8-6-.
What are the key properties of (Z)-undec-2-enedioic acid?
(Z)-undec-2-enedioic acid has a molecular weight of 214.26 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-undec-2-enedioic acid is sourced from PubChem (CID 59435158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).