2-methoxyethanol;tris(prop-1-ene)

C12H26O2 — CID 172995123

IUPAC2-methoxyethanol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCCO
InChIInChI=1S/C3H8O2.3C3H6/c1-5-3-2-4;3*1-3-2/h4H,2-3H2,1H3;3*3H,1H2,2H3
InChIKeyAAMXXBWTUTUQEI-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.20
Rot. Bonds2

About 2-methoxyethanol;tris(prop-1-ene)

2-methoxyethanol;tris(prop-1-ene) (PubChem CID 172995123) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methoxyethanol;tris(prop-1-ene).

Molecular Properties

Compound Name2-methoxyethanol;tris(prop-1-ene)
PubChem CID172995123
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methoxyethanol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCCO
InChIInChI=1S/C3H8O2.3C3H6/c1-5-3-2-4;3*1-3-2/h4H,2-3H2,1H3;3*3H,1H2,2H3
InChIKeyAAMXXBWTUTUQEI-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
CID 173295761
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
sodium 2-methoxyethanol
CID 21124383
bismuthane;2-methoxyethanol
CID 174782924
ethane;2-methoxyethanol
CID 175109361
2-methoxyethanol;sulfane
CID 174965249
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
2-methoxyethanol;prop-2-enoic acid;titanium
CID 22899396

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;tris(prop-1-ene)?
The IUPAC name of 2-methoxyethanol;tris(prop-1-ene) (CID 172995123) is 2-methoxyethanol;tris(prop-1-ene).
What is the SMILES notation for 2-methoxyethanol;tris(prop-1-ene)?
The canonical SMILES for 2-methoxyethanol;tris(prop-1-ene) is C=CC.C=CC.C=CC.COCCO.
What is the InChIKey of 2-methoxyethanol;tris(prop-1-ene)?
The InChIKey is AAMXXBWTUTUQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.3C3H6/c1-5-3-2-4;3*1-3-2/h4H,2-3H2,1H3;3*3H,1H2,2H3.
What are the key properties of 2-methoxyethanol;tris(prop-1-ene)?
2-methoxyethanol;tris(prop-1-ene) has a molecular weight of 202.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;tris(prop-1-ene) is sourced from PubChem (CID 172995123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).