5-(3,3-diethoxypropoxy)-2-methylpent-2-ene

C13H26O3 — CID 89266946

IUPAC5-(3,3-diethoxypropoxy)-2-methylpent-2-ene
SMILESCCOC(CCOCCC=C(C)C)OCC
InChIInChI=1S/C13H26O3/c1-5-15-13(16-6-2)9-11-14-10-7-8-12(3)4/h8,13H,5-7,9-11H2,1-4H3
InChIKeyIQDHWMHEDLEGFD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds10

About 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene

5-(3,3-diethoxypropoxy)-2-methylpent-2-ene (PubChem CID 89266946) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene.

Molecular Properties

Compound Name5-(3,3-diethoxypropoxy)-2-methylpent-2-ene
PubChem CID89266946
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name5-(3,3-diethoxypropoxy)-2-methylpent-2-ene
SMILESCCOC(CCOCCC=C(C)C)OCC
InChIInChI=1S/C13H26O3/c1-5-15-13(16-6-2)9-11-14-10-7-8-12(3)4/h8,13H,5-7,9-11H2,1-4H3
InChIKeyIQDHWMHEDLEGFD-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene?
The IUPAC name of 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene (CID 89266946) is 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene.
What is the SMILES notation for 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene?
The canonical SMILES for 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene is CCOC(CCOCCC=C(C)C)OCC.
What is the InChIKey of 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene?
The InChIKey is IQDHWMHEDLEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-15-13(16-6-2)9-11-14-10-7-8-12(3)4/h8,13H,5-7,9-11H2,1-4H3.
What are the key properties of 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene?
5-(3,3-diethoxypropoxy)-2-methylpent-2-ene has a molecular weight of 230.35 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethoxypropoxy)-2-methylpent-2-ene is sourced from PubChem (CID 89266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).