(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid

C10H14O4 — CID 6913007

IUPAC(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OC1CCCCC1
InChIInChI=1S/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)/b7-6-
InChIKeyZMQWRASVUXJXGM-SREVYHEPSA-N
MW198.22 g/mol
LogP1.50
Rot. Bonds3

About (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid

(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid (PubChem CID 6913007) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid
PubChem CID6913007
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OC1CCCCC1
InChIInChI=1S/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)/b7-6-
InChIKeyZMQWRASVUXJXGM-SREVYHEPSA-N
XLogP1.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl acrylate
CID 18298
Monocyclohexyl fumarate
CID 5717084
Dicyclohexyl maleate
CID 5354318
Cyclohexyl crotonate
CID 5366040
Pentyl Fumarate
CID 10103897
(2E)-4-(Hexyloxy)-4-oxo-2-butenoic acid
CID 5816396
Dicyclohexyl but-2-enedioate
CID 73952
Monohexyl maleate
CID 13349882
Dicyclohexyl fumarate
CID 5927300
Fumaric acid, cyclohexyl ethyl ester
CID 15257165
4-Oxo-4-pentoxybut-2-enoic acid
CID 53692483
Cyclohexyl isopropyl fumarate
CID 68672121

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid (CID 6913007) is (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OC1CCCCC1.
What is the InChIKey of (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid?
The InChIKey is ZMQWRASVUXJXGM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)/b7-6-.
What are the key properties of (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid?
(Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 6913007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).