3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane

C11H18O2 — CID 173373372

IUPAC3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane
SMILESC(=C/C1CCOC1)\CC1CCOC1
InChIInChI=1S/C11H18O2/c1(2-10-4-6-12-8-10)3-11-5-7-13-9-11/h1-2,10-11H,3-9H2/b2-1+
InChIKeyROGBJPAFINSGMJ-OWOJBTEDSA-N
MW182.26 g/mol
LogP2.01
Rot. Bonds3

About 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane

3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane (PubChem CID 173373372) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane.

Molecular Properties

Compound Name3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane
PubChem CID173373372
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane
SMILESC(=C/C1CCOC1)\CC1CCOC1
InChIInChI=1S/C11H18O2/c1(2-10-4-6-12-8-10)3-11-5-7-13-9-11/h1-2,10-11H,3-9H2/b2-1+
InChIKeyROGBJPAFINSGMJ-OWOJBTEDSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane with MolForge

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

Launch Full Analysis

Related Compounds

CID 139250131
CID 139250131
CID 140007217
CID 140007217
CID 175396107
CID 175396107
CID 175396125
CID 175396125
CID 102247678
CID 102247678
CID 102247682
CID 102247682
CID 117267415
CID 117267415

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane?
The IUPAC name of 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane (CID 173373372) is 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane.
What is the SMILES notation for 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane?
The canonical SMILES for 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane is C(=C/C1CCOC1)\CC1CCOC1.
What is the InChIKey of 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane?
The InChIKey is ROGBJPAFINSGMJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H18O2/c1(2-10-4-6-12-8-10)3-11-5-7-13-9-11/h1-2,10-11H,3-9H2/b2-1+.
What are the key properties of 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane?
3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane has a molecular weight of 182.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(oxolan-3-yl)prop-1-enyl]oxolane is sourced from PubChem (CID 173373372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).