(1-hydroxycyclohexyl)methyl prop-2-enoate

C10H16O3 — CID 19357468

IUPAC(1-hydroxycyclohexyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(O)CCCCC1
InChIInChI=1S/C10H16O3/c1-2-9(11)13-8-10(12)6-4-3-5-7-10/h2,12H,1,3-8H2
InChIKeyRXTDFMDAHWRNKE-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds3

About (1-hydroxycyclohexyl)methyl prop-2-enoate

(1-hydroxycyclohexyl)methyl prop-2-enoate (PubChem CID 19357468) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)methyl prop-2-enoate
PubChem CID19357468
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1-hydroxycyclohexyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(O)CCCCC1
InChIInChI=1S/C10H16O3/c1-2-9(11)13-8-10(12)6-4-3-5-7-10/h2,12H,1,3-8H2
InChIKeyRXTDFMDAHWRNKE-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)methyl prop-2-enoate?
The IUPAC name of (1-hydroxycyclohexyl)methyl prop-2-enoate (CID 19357468) is (1-hydroxycyclohexyl)methyl prop-2-enoate.
What is the SMILES notation for (1-hydroxycyclohexyl)methyl prop-2-enoate?
The canonical SMILES for (1-hydroxycyclohexyl)methyl prop-2-enoate is C=CC(=O)OCC1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)methyl prop-2-enoate?
The InChIKey is RXTDFMDAHWRNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-9(11)13-8-10(12)6-4-3-5-7-10/h2,12H,1,3-8H2.
What are the key properties of (1-hydroxycyclohexyl)methyl prop-2-enoate?
(1-hydroxycyclohexyl)methyl prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)methyl prop-2-enoate is sourced from PubChem (CID 19357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).