(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one

C16H30O5 — CID 156582491

IUPAC(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one
SMILESCCCCCCC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H30O5/c1-2-3-4-5-6-7-12(17)13(18)8-9-14(19)15-10-11-16(20)21-15/h12-15,17-19H,2-11H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKeyPOXFJRZGYPIAOC-KBUPBQIOSA-N
MW302.41 g/mol
LogP1.92
Rot. Bonds11

About (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one

(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one (PubChem CID 156582491) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one
PubChem CID156582491
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one
SMILESCCCCCCC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C16H30O5/c1-2-3-4-5-6-7-12(17)13(18)8-9-14(19)15-10-11-16(20)21-15/h12-15,17-19H,2-11H2,1H3/t12-,13-,14-,15-/m1/s1
InChIKeyPOXFJRZGYPIAOC-KBUPBQIOSA-N
XLogP1.92
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one (CID 156582491) is (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one is CCCCCCC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one?
The InChIKey is POXFJRZGYPIAOC-KBUPBQIOSA-N. The full InChI is InChI=1S/C16H30O5/c1-2-3-4-5-6-7-12(17)13(18)8-9-14(19)15-10-11-16(20)21-15/h12-15,17-19H,2-11H2,1H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one?
(5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one has a molecular weight of 302.41 g/mol, XLogP of 1.92, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R,4R,5R)-1,4,5-trihydroxydodecyl]oxolan-2-one is sourced from PubChem (CID 156582491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).