1-methoxypropan-2-ol;tris(prop-1-ene)

C13H28O2 — CID 162146240

IUPAC1-methoxypropan-2-ol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCC(C)O
InChIInChI=1S/C4H10O2.3C3H6/c1-4(5)3-6-2;3*1-3-2/h4-5H,3H2,1-2H3;3*3H,1H2,2H3
InChIKeyZKPARQPVXAAJLU-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.59
Rot. Bonds2

About 1-methoxypropan-2-ol;tris(prop-1-ene)

1-methoxypropan-2-ol;tris(prop-1-ene) (PubChem CID 162146240) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-methoxypropan-2-ol;tris(prop-1-ene).

Molecular Properties

Compound Name1-methoxypropan-2-ol;tris(prop-1-ene)
PubChem CID162146240
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-methoxypropan-2-ol;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCC(C)O
InChIInChI=1S/C4H10O2.3C3H6/c1-4(5)3-6-2;3*1-3-2/h4-5H,3H2,1-2H3;3*3H,1H2,2H3
InChIKeyZKPARQPVXAAJLU-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.59
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

1-methoxypropan-2-ol chloride
CID 23303898
1-methoxypropan-2-ol;propane
CID 159966080
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
CID 175057633
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
CID 172753622
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ol;tris(prop-1-ene)?
The IUPAC name of 1-methoxypropan-2-ol;tris(prop-1-ene) (CID 162146240) is 1-methoxypropan-2-ol;tris(prop-1-ene).
What is the SMILES notation for 1-methoxypropan-2-ol;tris(prop-1-ene)?
The canonical SMILES for 1-methoxypropan-2-ol;tris(prop-1-ene) is C=CC.C=CC.C=CC.COCC(C)O.
What is the InChIKey of 1-methoxypropan-2-ol;tris(prop-1-ene)?
The InChIKey is ZKPARQPVXAAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.3C3H6/c1-4(5)3-6-2;3*1-3-2/h4-5H,3H2,1-2H3;3*3H,1H2,2H3.
What are the key properties of 1-methoxypropan-2-ol;tris(prop-1-ene)?
1-methoxypropan-2-ol;tris(prop-1-ene) has a molecular weight of 216.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ol;tris(prop-1-ene) is sourced from PubChem (CID 162146240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).