(Z)-3-cyclohexyloxybut-2-enoic acid

C10H16O3 — CID 143682110

IUPAC(Z)-3-cyclohexyloxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7-
InChIKeyFPWCOEFNQZLZDC-FPLPWBNLSA-N
MW184.24 g/mol
LogP2.32
Rot. Bonds3

About (Z)-3-cyclohexyloxybut-2-enoic acid

(Z)-3-cyclohexyloxybut-2-enoic acid (PubChem CID 143682110) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (Z)-3-cyclohexyloxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclohexyloxybut-2-enoic acid
PubChem CID143682110
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(Z)-3-cyclohexyloxybut-2-enoic acid
SMILESC/C(=C/C(=O)O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7-
InChIKeyFPWCOEFNQZLZDC-FPLPWBNLSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl (Z)-3-hydroxybut-2-enoate
CID 54717694
cycloheptadecyl acetate
CID 57215828
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578
dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466
4-cyclopentyloxy-3-methylbut-2-enoic acid
CID 77005467
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexyloxybut-2-enoic acid?
The IUPAC name of (Z)-3-cyclohexyloxybut-2-enoic acid (CID 143682110) is (Z)-3-cyclohexyloxybut-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclohexyloxybut-2-enoic acid?
The canonical SMILES for (Z)-3-cyclohexyloxybut-2-enoic acid is C/C(=C/C(=O)O)OC1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexyloxybut-2-enoic acid?
The InChIKey is FPWCOEFNQZLZDC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7-.
What are the key properties of (Z)-3-cyclohexyloxybut-2-enoic acid?
(Z)-3-cyclohexyloxybut-2-enoic acid has a molecular weight of 184.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyloxybut-2-enoic acid is sourced from PubChem (CID 143682110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).