cyclohexyl (Z)-3-hydroxybut-2-enoate

C10H16O3 — CID 54717694

IUPACcyclohexyl (Z)-3-hydroxybut-2-enoate
SMILESC/C(O)=C/C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3/b8-7-
InChIKeyXEYLICFZBVBKES-FPLPWBNLSA-N
MW184.24 g/mol
LogP2.32
Rot. Bonds2

About cyclohexyl (Z)-3-hydroxybut-2-enoate

cyclohexyl (Z)-3-hydroxybut-2-enoate (PubChem CID 54717694) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is cyclohexyl (Z)-3-hydroxybut-2-enoate.

Molecular Properties

Compound Namecyclohexyl (Z)-3-hydroxybut-2-enoate
PubChem CID54717694
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namecyclohexyl (Z)-3-hydroxybut-2-enoate
SMILESC/C(O)=C/C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3/b8-7-
InChIKeyXEYLICFZBVBKES-FPLPWBNLSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 ≤ 103

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

dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
dicyclohexyl (2Z,4E)-3-methylhexa-2,4-dienedioate
CID 132558714
(Z)-3-cyclohexyloxybut-2-enoic acid
CID 143682110
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cycloheptadecyl acetate
CID 57215828
sodium;dicyclohexyl (Z)-but-2-enedioate;hydride
CID 174767941
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (Z)-3-hydroxybut-2-enoate?
The IUPAC name of cyclohexyl (Z)-3-hydroxybut-2-enoate (CID 54717694) is cyclohexyl (Z)-3-hydroxybut-2-enoate.
What is the SMILES notation for cyclohexyl (Z)-3-hydroxybut-2-enoate?
The canonical SMILES for cyclohexyl (Z)-3-hydroxybut-2-enoate is C/C(O)=C/C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (Z)-3-hydroxybut-2-enoate?
The InChIKey is XEYLICFZBVBKES-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3/b8-7-.
What are the key properties of cyclohexyl (Z)-3-hydroxybut-2-enoate?
cyclohexyl (Z)-3-hydroxybut-2-enoate has a molecular weight of 184.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (Z)-3-hydroxybut-2-enoate is sourced from PubChem (CID 54717694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).