2-methoxyethanol;propan-2-ol;prop-1-ene

C9H22O3 — CID 87495214

IUPAC2-methoxyethanol;propan-2-ol;prop-1-ene
SMILESC=CC.CC(C)O.COCCO
InChIInChI=1S/C3H8O2.C3H8O.C3H6/c1-5-3-2-4;1-3(2)4;1-3-2/h4H,2-3H2,1H3;3-4H,1-2H3;3H,1H2,2H3
InChIKeyIACQQCRIFDUEPN-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.20
Rot. Bonds2

About 2-methoxyethanol;propan-2-ol;prop-1-ene

2-methoxyethanol;propan-2-ol;prop-1-ene (PubChem CID 87495214) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-methoxyethanol;propan-2-ol;prop-1-ene.

Molecular Properties

Compound Name2-methoxyethanol;propan-2-ol;prop-1-ene
PubChem CID87495214
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Name2-methoxyethanol;propan-2-ol;prop-1-ene
SMILESC=CC.CC(C)O.COCCO
InChIInChI=1S/C3H8O2.C3H8O.C3H6/c1-5-3-2-4;1-3(2)4;1-3-2/h4H,2-3H2,1H3;3-4H,1-2H3;3H,1H2,2H3
InChIKeyIACQQCRIFDUEPN-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
lanthanum;2-methoxyethanol;propan-2-ol
CID 161158701
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
CID 173295761
bismuthane;2-methoxyethanol
CID 174782924
sodium 2-methoxyethanol
CID 21124383
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;propan-2-ol;prop-1-ene?
The IUPAC name of 2-methoxyethanol;propan-2-ol;prop-1-ene (CID 87495214) is 2-methoxyethanol;propan-2-ol;prop-1-ene.
What is the SMILES notation for 2-methoxyethanol;propan-2-ol;prop-1-ene?
The canonical SMILES for 2-methoxyethanol;propan-2-ol;prop-1-ene is C=CC.CC(C)O.COCCO.
What is the InChIKey of 2-methoxyethanol;propan-2-ol;prop-1-ene?
The InChIKey is IACQQCRIFDUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H8O.C3H6/c1-5-3-2-4;1-3(2)4;1-3-2/h4H,2-3H2,1H3;3-4H,1-2H3;3H,1H2,2H3.
What are the key properties of 2-methoxyethanol;propan-2-ol;prop-1-ene?
2-methoxyethanol;propan-2-ol;prop-1-ene has a molecular weight of 178.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;propan-2-ol;prop-1-ene is sourced from PubChem (CID 87495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).