2-(3-hydroxycyclohexyl)ethyl prop-2-enoate

C11H18O3 — CID 171776027

IUPAC2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCCC(O)C1
InChIInChI=1S/C11H18O3/c1-2-11(13)14-7-6-9-4-3-5-10(12)8-9/h2,9-10,12H,1,3-8H2
InChIKeyYMDUTEWXWCBHQK-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds4

About 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate

2-(3-hydroxycyclohexyl)ethyl prop-2-enoate (PubChem CID 171776027) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
PubChem CID171776027
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCCC(O)C1
InChIInChI=1S/C11H18O3/c1-2-11(13)14-7-6-9-4-3-5-10(12)8-9/h2,9-10,12H,1,3-8H2
InChIKeyYMDUTEWXWCBHQK-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
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

3-(3,4-dihydroxycyclohexyl)propyl prop-2-enoate
CID 141157724
cyclohexane-1,3-diol;methyl prop-2-enoate
CID 174824119
3-[(1R,3R)-3-hydroxycyclohexyl]propanoic acid
CID 154872999
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
CID 70560531
2-(2,2,3,3-tetramethyl-1,3a,4,5,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 89033561

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate?
The IUPAC name of 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate (CID 171776027) is 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate is C=CC(=O)OCCC1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate?
The InChIKey is YMDUTEWXWCBHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-11(13)14-7-6-9-4-3-5-10(12)8-9/h2,9-10,12H,1,3-8H2.
What are the key properties of 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate?
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclohexyl)ethyl prop-2-enoate is sourced from PubChem (CID 171776027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).