1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol

C14H28O7 — CID 172513845

IUPAC1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC(O)COCC
InChIInChI=1S/C14H28O7/c1-3-5-19-7-13(16)9-21-11-14(17)10-20-8-12(15)6-18-4-2/h3,12-17H,1,4-11H2,2H3
InChIKeyAVTBEXFMCPQFSS-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.66
Rot. Bonds15

About 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol

1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol (PubChem CID 172513845) has the molecular formula C14H28O7 and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
PubChem CID172513845
Molecular FormulaC14H28O7
Molecular Weight308.37 g/mol
Exact Mass308.18
IUPAC Name1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC(O)COCC
InChIInChI=1S/C14H28O7/c1-3-5-19-7-13(16)9-21-11-14(17)10-20-8-12(15)6-18-4-2/h3,12-17H,1,4-11H2,2H3
InChIKeyAVTBEXFMCPQFSS-UHFFFAOYSA-N
XLogP-0.66
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol (CID 172513845) is 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol is C=CCOCC(O)COCC(O)COCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol?
The InChIKey is AVTBEXFMCPQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7/c1-3-5-19-7-13(16)9-21-11-14(17)10-20-8-12(15)6-18-4-2/h3,12-17H,1,4-11H2,2H3.
What are the key properties of 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol?
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol has a molecular weight of 308.37 g/mol, XLogP of -0.66, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol is sourced from PubChem (CID 172513845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).