(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one

C15H28O4 — CID 10849816

IUPAC(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
SMILESCCCCCCC(O)CCC[C@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H28O4/c1-2-3-4-5-7-12(16)8-6-9-13(17)14-10-11-15(18)19-14/h12-14,16-17H,2-11H2,1H3/t12?,13-,14-/m0/s1
InChIKeyUNNGPNUFVSHDRX-TTZKSVMKSA-N
MW272.38 g/mol
LogP2.55
Rot. Bonds10

About (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one

(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one (PubChem CID 10849816) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
PubChem CID10849816
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
SMILESCCCCCCC(O)CCC[C@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H28O4/c1-2-3-4-5-7-12(16)8-6-9-13(17)14-10-11-15(18)19-14/h12-14,16-17H,2-11H2,1H3/t12?,13-,14-/m0/s1
InChIKeyUNNGPNUFVSHDRX-TTZKSVMKSA-N
XLogP2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one (CID 10849816) is (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one is CCCCCCC(O)CCC[C@H](O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one?
The InChIKey is UNNGPNUFVSHDRX-TTZKSVMKSA-N. The full InChI is InChI=1S/C15H28O4/c1-2-3-4-5-7-12(16)8-6-9-13(17)14-10-11-15(18)19-14/h12-14,16-17H,2-11H2,1H3/t12?,13-,14-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one?
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one has a molecular weight of 272.38 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one is sourced from PubChem (CID 10849816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).