2-ethyl-2-pent-4-enyloxane

C12H22O — CID 156532065

IUPAC2-ethyl-2-pent-4-enyloxane
SMILESC=CCCCC1(CC)CCCCO1
InChIInChI=1S/C12H22O/c1-3-5-6-9-12(4-2)10-7-8-11-13-12/h3H,1,4-11H2,2H3
InChIKeyPBVZEPBZXPQUOP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds5

About 2-ethyl-2-pent-4-enyloxane

2-ethyl-2-pent-4-enyloxane (PubChem CID 156532065) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-2-pent-4-enyloxane.

Molecular Properties

Compound Name2-ethyl-2-pent-4-enyloxane
PubChem CID156532065
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethyl-2-pent-4-enyloxane
SMILESC=CCCCC1(CC)CCCCO1
InChIInChI=1S/C12H22O/c1-3-5-6-9-12(4-2)10-7-8-11-13-12/h3H,1,4-11H2,2H3
InChIKeyPBVZEPBZXPQUOP-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-pent-4-enyloxane 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 2-ethyl-2-pent-4-enyloxane?
The IUPAC name of 2-ethyl-2-pent-4-enyloxane (CID 156532065) is 2-ethyl-2-pent-4-enyloxane.
What is the SMILES notation for 2-ethyl-2-pent-4-enyloxane?
The canonical SMILES for 2-ethyl-2-pent-4-enyloxane is C=CCCCC1(CC)CCCCO1.
What is the InChIKey of 2-ethyl-2-pent-4-enyloxane?
The InChIKey is PBVZEPBZXPQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-6-9-12(4-2)10-7-8-11-13-12/h3H,1,4-11H2,2H3.
What are the key properties of 2-ethyl-2-pent-4-enyloxane?
2-ethyl-2-pent-4-enyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-pent-4-enyloxane is sourced from PubChem (CID 156532065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).