3-(4-methoxyoxan-4-yl)prop-2-en-1-ol

C9H16O3 — CID 54056442

IUPAC3-(4-methoxyoxan-4-yl)prop-2-en-1-ol
SMILESCOC1(C=CCO)CCOCC1
InChIInChI=1S/C9H16O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h2-3,10H,4-8H2,1H3
InChIKeyLWPDHXNGFDCTPL-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.73
Rot. Bonds3

About 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol

3-(4-methoxyoxan-4-yl)prop-2-en-1-ol (PubChem CID 54056442) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)prop-2-en-1-ol
PubChem CID54056442
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(4-methoxyoxan-4-yl)prop-2-en-1-ol
SMILESCOC1(C=CCO)CCOCC1
InChIInChI=1S/C9H16O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h2-3,10H,4-8H2,1H3
InChIKeyLWPDHXNGFDCTPL-UHFFFAOYSA-N
XLogP0.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyoxan-4-yl)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 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol (CID 54056442) is 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol is COC1(C=CCO)CCOCC1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol?
The InChIKey is LWPDHXNGFDCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h2-3,10H,4-8H2,1H3.
What are the key properties of 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol?
3-(4-methoxyoxan-4-yl)prop-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 54056442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).