(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione

C20H36O6 — CID 11485584

IUPAC(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione
SMILESCCCCC[C@@H]1C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O1
InChIInChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3/t15-,16-,17-,18-/m1/s1
InChIKeyPENUWXDRGVMHGY-BRSBDYLESA-N
MW372.50 g/mol
LogP3.27
Rot. Bonds8

About (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione

(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione (PubChem CID 11485584) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione.

Molecular Properties

Compound Name(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione
PubChem CID11485584
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione
SMILESCCCCC[C@@H]1C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O1
InChIInChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3/t15-,16-,17-,18-/m1/s1
InChIKeyPENUWXDRGVMHGY-BRSBDYLESA-N
XLogP3.27
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione?
The IUPAC name of (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione (CID 11485584) is (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione.
What is the SMILES notation for (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione?
The canonical SMILES for (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione is CCCCC[C@@H]1C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione?
The InChIKey is PENUWXDRGVMHGY-BRSBDYLESA-N. The full InChI is InChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione?
(4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione has a molecular weight of 372.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,10R,12R)-4,10-dihydroxy-6,12-dipentyl-1,7-dioxacyclododecane-2,8-dione is sourced from PubChem (CID 11485584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).