(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol

C11H18O3 — CID 134877458

IUPAC(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
SMILESOC/C=C/C1(OC2CCCCO2)CC1
InChIInChI=1S/C11H18O3/c12-8-3-5-11(6-7-11)14-10-4-1-2-9-13-10/h3,5,10,12H,1-2,4,6-9H2/b5-3+
InChIKeyDZBJYNNFGRDRJZ-HWKANZROSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds4

About (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol

(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol (PubChem CID 134877458) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
PubChem CID134877458
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
SMILESOC/C=C/C1(OC2CCCCO2)CC1
InChIInChI=1S/C11H18O3/c12-8-3-5-11(6-7-11)14-10-4-1-2-9-13-10/h3,5,10,12H,1-2,4,6-9H2/b5-3+
InChIKeyDZBJYNNFGRDRJZ-HWKANZROSA-N
XLogP1.61
TPSA38.69 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-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 (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol (CID 134877458) is (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol is OC/C=C/C1(OC2CCCCO2)CC1.
What is the InChIKey of (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol?
The InChIKey is DZBJYNNFGRDRJZ-HWKANZROSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-3-5-11(6-7-11)14-10-4-1-2-9-13-10/h3,5,10,12H,1-2,4,6-9H2/b5-3+.
What are the key properties of (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol?
(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 134877458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).