3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene

C20H38O5 — CID 22028202

IUPAC3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene
SMILESC=C(C)C(OC(C(=C)C)C(C)(OCC)OCC)C(C)(OCC)OCC
InChIInChI=1S/C20H38O5/c1-11-21-19(9,22-12-2)17(15(5)6)25-18(16(7)8)20(10,23-13-3)24-14-4/h17-18H,5,7,11-14H2,1-4,6,8-10H3
InChIKeyVFSADNLQHKPIPC-UHFFFAOYSA-N
MW358.52 g/mol
LogP4.47
Rot. Bonds14

About 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene

3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene (PubChem CID 22028202) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene.

Molecular Properties

Compound Name3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene
PubChem CID22028202
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene
SMILESC=C(C)C(OC(C(=C)C)C(C)(OCC)OCC)C(C)(OCC)OCC
InChIInChI=1S/C20H38O5/c1-11-21-19(9,22-12-2)17(15(5)6)25-18(16(7)8)20(10,23-13-3)24-14-4/h17-18H,5,7,11-14H2,1-4,6,8-10H3
InChIKeyVFSADNLQHKPIPC-UHFFFAOYSA-N
XLogP4.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-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 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene?
The IUPAC name of 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene (CID 22028202) is 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene.
What is the SMILES notation for 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene?
The canonical SMILES for 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene is C=C(C)C(OC(C(=C)C)C(C)(OCC)OCC)C(C)(OCC)OCC.
What is the InChIKey of 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene?
The InChIKey is VFSADNLQHKPIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-11-21-19(9,22-12-2)17(15(5)6)25-18(16(7)8)20(10,23-13-3)24-14-4/h17-18H,5,7,11-14H2,1-4,6,8-10H3.
What are the key properties of 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene?
3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene has a molecular weight of 358.52 g/mol, XLogP of 4.47, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene is sourced from PubChem (CID 22028202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).