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

C15H28O7 — CID 10495926

IUPAC1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC(O)COCC=C
InChIInChI=1S/C15H28O7/c1-3-5-19-7-13(16)9-21-11-15(18)12-22-10-14(17)8-20-6-4-2/h3-4,13-18H,1-2,5-12H2
InChIKeyMJBBQFIDSMEYON-UHFFFAOYSA-N
MW320.38 g/mol
LogP-0.49
Rot. Bonds16

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

1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol (PubChem CID 10495926) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol
PubChem CID10495926
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC(O)COCC(O)COCC=C
InChIInChI=1S/C15H28O7/c1-3-5-19-7-13(16)9-21-11-15(18)12-22-10-14(17)8-20-6-4-2/h3-4,13-18H,1-2,5-12H2
InChIKeyMJBBQFIDSMEYON-UHFFFAOYSA-N
XLogP-0.49
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 5-0.49
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol (CID 10495926) is 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COCC(O)COCC(O)COCC=C.
What is the InChIKey of 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol?
The InChIKey is MJBBQFIDSMEYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-3-5-19-7-13(16)9-21-11-15(18)12-22-10-14(17)8-20-6-4-2/h3-4,13-18H,1-2,5-12H2.
What are the key properties of 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol?
1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol has a molecular weight of 320.38 g/mol, XLogP of -0.49, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 10495926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).