4-propa-1,2-dienyloxan-4-ol

C8H12O2 — CID 139383420

IUPAC4-propa-1,2-dienyloxan-4-ol
SMILESC=C=CC1(O)CCOCC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)4-6-10-7-5-8/h3,9H,1,4-7H2
InChIKeyFIEQCDIMBDUBSF-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.87
Rot. Bonds1

About 4-propa-1,2-dienyloxan-4-ol

4-propa-1,2-dienyloxan-4-ol (PubChem CID 139383420) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-propa-1,2-dienyloxan-4-ol.

Molecular Properties

Compound Name4-propa-1,2-dienyloxan-4-ol
PubChem CID139383420
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-propa-1,2-dienyloxan-4-ol
SMILESC=C=CC1(O)CCOCC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)4-6-10-7-5-8/h3,9H,1,4-7H2
InChIKeyFIEQCDIMBDUBSF-UHFFFAOYSA-N
XLogP0.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propa-1,2-dienyloxan-4-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 4-propa-1,2-dienyloxan-4-ol?
The IUPAC name of 4-propa-1,2-dienyloxan-4-ol (CID 139383420) is 4-propa-1,2-dienyloxan-4-ol.
What is the SMILES notation for 4-propa-1,2-dienyloxan-4-ol?
The canonical SMILES for 4-propa-1,2-dienyloxan-4-ol is C=C=CC1(O)CCOCC1.
What is the InChIKey of 4-propa-1,2-dienyloxan-4-ol?
The InChIKey is FIEQCDIMBDUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8(9)4-6-10-7-5-8/h3,9H,1,4-7H2.
What are the key properties of 4-propa-1,2-dienyloxan-4-ol?
4-propa-1,2-dienyloxan-4-ol has a molecular weight of 140.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propa-1,2-dienyloxan-4-ol is sourced from PubChem (CID 139383420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).