(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate

C11H16O3 — CID 11769427

IUPAC(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(C=C)CC1O
InChIInChI=1S/C11H16O3/c1-3-8-5-6-10(9(12)7-8)14-11(13)4-2/h3-4,8-10,12H,1-2,5-7H2
InChIKeyHEXBKIFLGJWBMG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds3

About (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate

(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate (PubChem CID 11769427) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate
PubChem CID11769427
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(C=C)CC1O
InChIInChI=1S/C11H16O3/c1-3-8-5-6-10(9(12)7-8)14-11(13)4-2/h3-4,8-10,12H,1-2,5-7H2
InChIKeyHEXBKIFLGJWBMG-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate?
The IUPAC name of (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate (CID 11769427) is (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate.
What is the SMILES notation for (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate?
The canonical SMILES for (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate is C=CC(=O)OC1CCC(C=C)CC1O.
What is the InChIKey of (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate?
The InChIKey is HEXBKIFLGJWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-5-6-10(9(12)7-8)14-11(13)4-2/h3-4,8-10,12H,1-2,5-7H2.
What are the key properties of (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate?
(4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate has a molecular weight of 196.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-hydroxycyclohexyl) prop-2-enoate is sourced from PubChem (CID 11769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).