2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene

C11H24O3 — CID 174902396

IUPAC2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
SMILESCC(O)COC(C)CO.CC=C(C)C
InChIInChI=1S/C6H14O3.C5H10/c1-5(8)4-9-6(2)3-7;1-4-5(2)3/h5-8H,3-4H2,1-2H3;4H,1-3H3
InChIKeyPWKKHDGJUTUBPX-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.74
Rot. Bonds4

About 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene

2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene (PubChem CID 174902396) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
PubChem CID174902396
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
SMILESCC(O)COC(C)CO.CC=C(C)C
InChIInChI=1S/C6H14O3.C5H10/c1-5(8)4-9-6(2)3-7;1-4-5(2)3/h5-8H,3-4H2,1-2H3;4H,1-3H3
InChIKeyPWKKHDGJUTUBPX-UHFFFAOYSA-N
XLogP1.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.74
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-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene (CID 174902396) is 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene is CC(O)COC(C)CO.CC=C(C)C.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene?
The InChIKey is PWKKHDGJUTUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H10/c1-5(8)4-9-6(2)3-7;1-4-5(2)3/h5-8H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene?
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene has a molecular weight of 204.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene is sourced from PubChem (CID 174902396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).