(1S,4R)-4-ethoxycyclohex-2-en-1-ol

C8H14O2 — CID 11961876

IUPAC(1S,4R)-4-ethoxycyclohex-2-en-1-ol
SMILESCCO[C@H]1C=C[C@@H](O)CC1
InChIInChI=1S/C8H14O2/c1-2-10-8-5-3-7(9)4-6-8/h3,5,7-9H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyJNXKAHDQZWTGQR-SFYZADRCSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds2

About (1S,4R)-4-ethoxycyclohex-2-en-1-ol

(1S,4R)-4-ethoxycyclohex-2-en-1-ol (PubChem CID 11961876) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,4R)-4-ethoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-ethoxycyclohex-2-en-1-ol
PubChem CID11961876
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,4R)-4-ethoxycyclohex-2-en-1-ol
SMILESCCO[C@H]1C=C[C@@H](O)CC1
InChIInChI=1S/C8H14O2/c1-2-10-8-5-3-7(9)4-6-8/h3,5,7-9H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyJNXKAHDQZWTGQR-SFYZADRCSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4R)-4-ethoxycyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-ethoxycyclohex-2-en-1-ol?
The IUPAC name of (1S,4R)-4-ethoxycyclohex-2-en-1-ol (CID 11961876) is (1S,4R)-4-ethoxycyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-ethoxycyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-ethoxycyclohex-2-en-1-ol is CCO[C@H]1C=C[C@@H](O)CC1.
What is the InChIKey of (1S,4R)-4-ethoxycyclohex-2-en-1-ol?
The InChIKey is JNXKAHDQZWTGQR-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-10-8-5-3-7(9)4-6-8/h3,5,7-9H,2,4,6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1S,4R)-4-ethoxycyclohex-2-en-1-ol?
(1S,4R)-4-ethoxycyclohex-2-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-ethoxycyclohex-2-en-1-ol is sourced from PubChem (CID 11961876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).