(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol

C14H28O3 — CID 131839669

IUPAC(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol
SMILESC/C=C/CCCCCCCCOC[C@H](O)CO
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-17-13-14(16)12-15/h2-3,14-16H,4-13H2,1H3/b3-2+/t14-/m1/s1
InChIKeyQFQBYCAUTNENTO-BAABZTOOSA-N
MW244.37 g/mol
LogP2.66
Rot. Bonds12

About (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol

(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol (PubChem CID 131839669) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol
PubChem CID131839669
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol
SMILESC/C=C/CCCCCCCCOC[C@H](O)CO
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-17-13-14(16)12-15/h2-3,14-16H,4-13H2,1H3/b3-2+/t14-/m1/s1
InChIKeyQFQBYCAUTNENTO-BAABZTOOSA-N
XLogP2.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol (CID 131839669) is (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol is C/C=C/CCCCCCCCOC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol?
The InChIKey is QFQBYCAUTNENTO-BAABZTOOSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-17-13-14(16)12-15/h2-3,14-16H,4-13H2,1H3/b3-2+/t14-/m1/s1.
What are the key properties of (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol?
(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol has a molecular weight of 244.37 g/mol, XLogP of 2.66, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol is sourced from PubChem (CID 131839669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).