1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol

C14H26O5 — CID 87094768

IUPAC1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)COCC(O)COCC(=C)C
InChIInChI=1S/C14H26O5/c1-11(2)5-17-7-13(15)9-19-10-14(16)8-18-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3
InChIKeyXQFNEPIZDCTNRY-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.91
Rot. Bonds12

About 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol

1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol (PubChem CID 87094768) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
PubChem CID87094768
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol
SMILESC=C(C)COCC(O)COCC(O)COCC(=C)C
InChIInChI=1S/C14H26O5/c1-11(2)5-17-7-13(15)9-19-10-14(16)8-18-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3
InChIKeyXQFNEPIZDCTNRY-UHFFFAOYSA-N
XLogP0.91
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-methylprop-2-enoxy)propan-2-ol;methanamine
CID 87231890
1-[2-[bis[[2-hydroxy-3-(2-methylprop-2-enoxy)propyl]peroxy]amino]ethyl-[2-hydroxy-3-(2-methylprop-2-enoxy)propyl]peroxyamino]peroxy-3-(2-methylprop-2-enoxy)propan-2-ol
CID 18689349
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
1,3-bis(2-methylprop-2-enoxy)propan-2-yloxy-trimethylsilane
CID 87314685
[2-hydroxy-3-(2-methylprop-2-enoxy)propyl] 2-benzoylbenzoate
CID 91122512
(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
CID 58738316
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
dichloro-[2-methyl-3-(2-methylprop-2-enoxy)propyl]silane
CID 173315671
1-(2-methylprop-2-enylperoxy)butan-2-ol
CID 59088510
2-methylprop-2-enoxymethylsilane
CID 173027266
2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene
CID 164792013
1-(2-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol?
The IUPAC name of 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol (CID 87094768) is 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol is C=C(C)COCC(O)COCC(O)COCC(=C)C.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol?
The InChIKey is XQFNEPIZDCTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-11(2)5-17-7-13(15)9-19-10-14(16)8-18-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3.
What are the key properties of 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol?
1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 0.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylprop-2-enoxy)propoxy]-3-(2-methylprop-2-enoxy)propan-2-ol is sourced from PubChem (CID 87094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).