2-[3-[(E)-prop-1-enoxy]propyl]oxolane

C10H18O2 — CID 176603037

IUPAC2-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1CCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyFOLMTUUQLAMGLH-FARCUNLSSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-[(E)-prop-1-enoxy]propyl]oxolane

2-[3-[(E)-prop-1-enoxy]propyl]oxolane (PubChem CID 176603037) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[3-[(E)-prop-1-enoxy]propyl]oxolane.

Molecular Properties

Compound Name2-[3-[(E)-prop-1-enoxy]propyl]oxolane
PubChem CID176603037
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[3-[(E)-prop-1-enoxy]propyl]oxolane
SMILESC/C=C/OCCCC1CCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyFOLMTUUQLAMGLH-FARCUNLSSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[(E)-prop-1-enoxy]propyl]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

Cyclododecane, (1-propenyloxy)-
CID 5374044
Ethenoxyethene;2-propyloxolane
CID 18405802
2-[(E)-prop-1-enoxy]decane
CID 23217734
1,6-Bis(prop-1-enoxy)octane
CID 53934114
1,6-Bis(prop-1-enoxy)decane
CID 87891837
2-Prop-1-enoxydecane
CID 150008525
4-Methoxy-1-prop-1-enoxytridecane
CID 152587936
(5S)-2-ethyl-5-methyloxolane;prop-1-ene
CID 153559484
2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603217
2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603322
2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603374
2-(3-Ethenoxypropyl)oxolane
CID 176603602

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The IUPAC name of 2-[3-[(E)-prop-1-enoxy]propyl]oxolane (CID 176603037) is 2-[3-[(E)-prop-1-enoxy]propyl]oxolane.
What is the SMILES notation for 2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The canonical SMILES for 2-[3-[(E)-prop-1-enoxy]propyl]oxolane is C/C=C/OCCCC1CCCO1.
What is the InChIKey of 2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
The InChIKey is FOLMTUUQLAMGLH-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-7-11-8-3-5-10-6-4-9-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 2-[3-[(E)-prop-1-enoxy]propyl]oxolane?
2-[3-[(E)-prop-1-enoxy]propyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-prop-1-enoxy]propyl]oxolane is sourced from PubChem (CID 176603037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).