2-ethoxy-3,4,4-trimethylpent-1-ene

C10H20O — CID 59636855

IUPAC2-ethoxy-3,4,4-trimethylpent-1-ene
SMILESC=C(OCC)C(C)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-11-9(3)8(2)10(4,5)6/h8H,3,7H2,1-2,4-6H3
InChIKeyIGHPESOVHAEQTE-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.22
Rot. Bonds3

About 2-ethoxy-3,4,4-trimethylpent-1-ene

2-ethoxy-3,4,4-trimethylpent-1-ene (PubChem CID 59636855) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethoxy-3,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name2-ethoxy-3,4,4-trimethylpent-1-ene
PubChem CID59636855
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethoxy-3,4,4-trimethylpent-1-ene
SMILESC=C(OCC)C(C)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-11-9(3)8(2)10(4,5)6/h8H,3,7H2,1-2,4-6H3
InChIKeyIGHPESOVHAEQTE-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3,4,4-trimethylpent-1-ene 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-ethoxy-3,4,4-trimethylpent-1-ene?
The IUPAC name of 2-ethoxy-3,4,4-trimethylpent-1-ene (CID 59636855) is 2-ethoxy-3,4,4-trimethylpent-1-ene.
What is the SMILES notation for 2-ethoxy-3,4,4-trimethylpent-1-ene?
The canonical SMILES for 2-ethoxy-3,4,4-trimethylpent-1-ene is C=C(OCC)C(C)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,4,4-trimethylpent-1-ene?
The InChIKey is IGHPESOVHAEQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-7-11-9(3)8(2)10(4,5)6/h8H,3,7H2,1-2,4-6H3.
What are the key properties of 2-ethoxy-3,4,4-trimethylpent-1-ene?
2-ethoxy-3,4,4-trimethylpent-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4,4-trimethylpent-1-ene is sourced from PubChem (CID 59636855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).