ethyl 2-(5-hydroxycyclohexen-1-yl)acetate

C10H16O3 — CID 101067435

IUPACethyl 2-(5-hydroxycyclohexen-1-yl)acetate
SMILESCCOC(=O)CC1=CCCC(O)C1
InChIInChI=1S/C10H16O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h4,9,11H,2-3,5-7H2,1H3
InChIKeyLQZWBUZZRDWITR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-(5-hydroxycyclohexen-1-yl)acetate

ethyl 2-(5-hydroxycyclohexen-1-yl)acetate (PubChem CID 101067435) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-(5-hydroxycyclohexen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxycyclohexen-1-yl)acetate
PubChem CID101067435
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-(5-hydroxycyclohexen-1-yl)acetate
SMILESCCOC(=O)CC1=CCCC(O)C1
InChIInChI=1S/C10H16O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h4,9,11H,2-3,5-7H2,1H3
InChIKeyLQZWBUZZRDWITR-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxycyclohexen-1-yl)acetate?
The IUPAC name of ethyl 2-(5-hydroxycyclohexen-1-yl)acetate (CID 101067435) is ethyl 2-(5-hydroxycyclohexen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-hydroxycyclohexen-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-hydroxycyclohexen-1-yl)acetate is CCOC(=O)CC1=CCCC(O)C1.
What is the InChIKey of ethyl 2-(5-hydroxycyclohexen-1-yl)acetate?
The InChIKey is LQZWBUZZRDWITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-13-10(12)7-8-4-3-5-9(11)6-8/h4,9,11H,2-3,5-7H2,1H3.
What are the key properties of ethyl 2-(5-hydroxycyclohexen-1-yl)acetate?
ethyl 2-(5-hydroxycyclohexen-1-yl)acetate 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 ethyl 2-(5-hydroxycyclohexen-1-yl)acetate is sourced from PubChem (CID 101067435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).