2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane

Name: 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₄₄O₅ — CID 151751572

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane

SMILESCCCCOC1(CCOC=C(C)C)CCCOC1(OCCCC)OCCCC

InChIInChI=1S/C23H44O5/c1-6-9-15-25-22(14-19-24-20-21(4)5)13-12-18-28-23(22,26-16-10-7-2)27-17-11-8-3/h20H,6-19H2,1-5H3

InChIKeyROQZLCQSIVBJHT-UHFFFAOYSA-N

MW400.60 g/mol

LogP5.97

Rot. Bonds16

About 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane

2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 151751572) has the molecular formula C₂₃H₄₄O₅ and a molecular weight of 400.60 g/mol. Its IUPAC name is 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name	2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID	151751572
Molecular Formula	C₂₃H₄₄O₅
Molecular Weight	400.60 g/mol
Exact Mass	400.32
IUPAC Name	2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane
SMILES	CCCCOC1(CCOC=C(C)C)CCCOC1(OCCCC)OCCCC
InChI	InChI=1S/C23H44O5/c1-6-9-15-25-22(14-19-24-20-21(4)5)13-12-18-28-23(22,26-16-10-7-2)27-17-11-8-3/h20H,6-19H2,1-5H3
InChIKey	ROQZLCQSIVBJHT-UHFFFAOYSA-N
XLogP	5.97
TPSA	46.15 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	16
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.60
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?

The IUPAC name of 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane (CID 151751572) is 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane.

What is the SMILES notation for 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?

The canonical SMILES for 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane is CCCCOC1(CCOC=C(C)C)CCCOC1(OCCCC)OCCCC.

What is the InChIKey of 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?

The InChIKey is ROQZLCQSIVBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O5/c1-6-9-15-25-22(14-19-24-20-21(4)5)13-12-18-28-23(22,26-16-10-7-2)27-17-11-8-3/h20H,6-19H2,1-5H3.

What are the key properties of 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane?

2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane has a molecular weight of 400.60 g/mol, XLogP of 5.97, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3-tributoxy-3-[2-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 151751572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151751572 — identifiers, structure, computed properties (public domain)

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