(Z)-but-2-enedioic acid;oct-3-en-1-ol

C12H20O5 — CID 175499439

IUPAC(Z)-but-2-enedioic acid;oct-3-en-1-ol
SMILESCCCCC=CCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H16O.C4H4O4/c1-2-3-4-5-6-7-8-9;5-3(6)1-2-4(7)8/h5-6,9H,2-4,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyFKYFOZSJMQZOMP-BTJKTKAUSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds7

About (Z)-but-2-enedioic acid;oct-3-en-1-ol

(Z)-but-2-enedioic acid;oct-3-en-1-ol (PubChem CID 175499439) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;oct-3-en-1-ol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;oct-3-en-1-ol
PubChem CID175499439
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(Z)-but-2-enedioic acid;oct-3-en-1-ol
SMILESCCCCC=CCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C8H16O.C4H4O4/c1-2-3-4-5-6-7-8-9;5-3(6)1-2-4(7)8/h5-6,9H,2-4,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyFKYFOZSJMQZOMP-BTJKTKAUSA-N
XLogP1.83
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;non-3-en-1-ol
CID 175499444
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
CID 158204021
CID 158204021
(Z)-but-2-enedioic acid;dec-2-en-1-ol
CID 174232749
formic acid;non-3-en-1-ol
CID 173228123
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
icosa-2,11-dienoic acid
CID 54537818
icosa-2,12-dienoic acid
CID 174301675
cyclopentane;(E)-hept-2-enoic acid
CID 66887361

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;oct-3-en-1-ol?
The IUPAC name of (Z)-but-2-enedioic acid;oct-3-en-1-ol (CID 175499439) is (Z)-but-2-enedioic acid;oct-3-en-1-ol.
What is the SMILES notation for (Z)-but-2-enedioic acid;oct-3-en-1-ol?
The canonical SMILES for (Z)-but-2-enedioic acid;oct-3-en-1-ol is CCCCC=CCCO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;oct-3-en-1-ol?
The InChIKey is FKYFOZSJMQZOMP-BTJKTKAUSA-N. The full InChI is InChI=1S/C8H16O.C4H4O4/c1-2-3-4-5-6-7-8-9;5-3(6)1-2-4(7)8/h5-6,9H,2-4,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;oct-3-en-1-ol?
(Z)-but-2-enedioic acid;oct-3-en-1-ol has a molecular weight of 244.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;oct-3-en-1-ol is sourced from PubChem (CID 175499439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).