1,1,2-tris(2-ethoxyethoxy)prop-1-ene

C15H30O6 — CID 87405701

IUPAC1,1,2-tris(2-ethoxyethoxy)prop-1-ene
SMILESCCOCCOC(C)=C(OCCOCC)OCCOCC
InChIInChI=1S/C15H30O6/c1-5-16-8-11-19-14(4)15(20-12-9-17-6-2)21-13-10-18-7-3/h5-13H2,1-4H3
InChIKeyMSCQMMZKEHHMOB-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.33
Rot. Bonds15

About 1,1,2-tris(2-ethoxyethoxy)prop-1-ene

1,1,2-tris(2-ethoxyethoxy)prop-1-ene (PubChem CID 87405701) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1,1,2-tris(2-ethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name1,1,2-tris(2-ethoxyethoxy)prop-1-ene
PubChem CID87405701
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name1,1,2-tris(2-ethoxyethoxy)prop-1-ene
SMILESCCOCCOC(C)=C(OCCOCC)OCCOCC
InChIInChI=1S/C15H30O6/c1-5-16-8-11-19-14(4)15(20-12-9-17-6-2)21-13-10-18-7-3/h5-13H2,1-4H3
InChIKeyMSCQMMZKEHHMOB-UHFFFAOYSA-N
XLogP2.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-Tetraethoxybutane
CID 18442121
Diethoxy-(3-ethoxy-2-propene)
CID 22222551
2,2-Bis(2-methoxyethoxy)propane
CID 87549355
2-(2-Methoxyethoxy)-2-methyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20444450
2-[1-Ethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491588
2-[1,1-Diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491591
2-(2-Methoxyethoxy)-2-[2-(2-methoxyethoxy)propan-2-yloxy]propane
CID 54143219
1-[1,1-Bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
CID 54270104
1-Ethoxy-2-(1-ethoxy-1-methoxybut-1-en-2-yl)oxy-1-methoxybut-1-ene
CID 56632440
2,2-Diethoxy-1-(2-methoxyethoxy)propane
CID 58846831
2,3-Dimethoxy-5,6-dimethyl-2,3-dihydro-1,4-dioxine
CID 68025506
2-(1,2-Diethoxyprop-1-enoxy)ethanol
CID 87248404

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(2-ethoxyethoxy)prop-1-ene?
The IUPAC name of 1,1,2-tris(2-ethoxyethoxy)prop-1-ene (CID 87405701) is 1,1,2-tris(2-ethoxyethoxy)prop-1-ene.
What is the SMILES notation for 1,1,2-tris(2-ethoxyethoxy)prop-1-ene?
The canonical SMILES for 1,1,2-tris(2-ethoxyethoxy)prop-1-ene is CCOCCOC(C)=C(OCCOCC)OCCOCC.
What is the InChIKey of 1,1,2-tris(2-ethoxyethoxy)prop-1-ene?
The InChIKey is MSCQMMZKEHHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-5-16-8-11-19-14(4)15(20-12-9-17-6-2)21-13-10-18-7-3/h5-13H2,1-4H3.
What are the key properties of 1,1,2-tris(2-ethoxyethoxy)prop-1-ene?
1,1,2-tris(2-ethoxyethoxy)prop-1-ene has a molecular weight of 306.40 g/mol, XLogP of 2.33, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2-ethoxyethoxy)prop-1-ene is sourced from PubChem (CID 87405701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).