3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate

C14H26O5 — CID 141198690

IUPAC3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
SMILESC=CCOCC(CO)(COCC=C)COCC=C.O
InChIInChI=1S/C14H24O4.H2O/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3;/h4-6,15H,1-3,7-13H2;1H2
InChIKeyQICZYYYGPFTKTH-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.75
Rot. Bonds13

About 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate

3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate (PubChem CID 141198690) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate.

Molecular Properties

Compound Name3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
PubChem CID141198690
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
SMILESC=CCOCC(CO)(COCC=C)COCC=C.O
InChIInChI=1S/C14H24O4.H2O/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3;/h4-6,15H,1-3,7-13H2;1H2
InChIKeyQICZYYYGPFTKTH-UHFFFAOYSA-N
XLogP0.75
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412
3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
CID 101473517
2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
CID 166530667
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol;hexanedioic acid
CID 6454241
6-ethyl-6-(prop-2-enoxymethyl)heptane-1,3,7-triol
CID 87260134
2-methyl-2-(prop-2-enoxymethyl)butane-1,4-diol
CID 139805885
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol;1-[2-(2-hydroxytetradecoxymethyl)-2-(prop-2-enoxymethyl)butoxy]tetradecan-2-ol
CID 165048402

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate?
The IUPAC name of 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate (CID 141198690) is 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate.
What is the SMILES notation for 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate?
The canonical SMILES for 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate is C=CCOCC(CO)(COCC=C)COCC=C.O.
What is the InChIKey of 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate?
The InChIKey is QICZYYYGPFTKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4.H2O/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3;/h4-6,15H,1-3,7-13H2;1H2.
What are the key properties of 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate?
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate has a molecular weight of 274.36 g/mol, XLogP of 0.75, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate is sourced from PubChem (CID 141198690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).