(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde

C13H20O5 — CID 134865551

IUPAC(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde
SMILESO=C[C@H]1CO[C@]2(CCCCO2)[C@@]2(CCCCO2)O1
InChIInChI=1S/C13H20O5/c14-9-11-10-17-12(5-1-3-7-15-12)13(18-11)6-2-4-8-16-13/h9,11H,1-8,10H2/t11-,12+,13+/m0/s1
InChIKeyNQVVHOWPCAPLEL-YNEHKIRRSA-N
MW256.30 g/mol
LogP1.39
Rot. Bonds1

About (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde

(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde (PubChem CID 134865551) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde.

Molecular Properties

Compound Name(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde
PubChem CID134865551
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde
SMILESO=C[C@H]1CO[C@]2(CCCCO2)[C@@]2(CCCCO2)O1
InChIInChI=1S/C13H20O5/c14-9-11-10-17-12(5-1-3-7-15-12)13(18-11)6-2-4-8-16-13/h9,11H,1-8,10H2/t11-,12+,13+/m0/s1
InChIKeyNQVVHOWPCAPLEL-YNEHKIRRSA-N
XLogP1.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde?
The IUPAC name of (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde (CID 134865551) is (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde.
What is the SMILES notation for (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde?
The canonical SMILES for (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde is O=C[C@H]1CO[C@]2(CCCCO2)[C@@]2(CCCCO2)O1.
What is the InChIKey of (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde?
The InChIKey is NQVVHOWPCAPLEL-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H20O5/c14-9-11-10-17-12(5-1-3-7-15-12)13(18-11)6-2-4-8-16-13/h9,11H,1-8,10H2/t11-,12+,13+/m0/s1.
What are the key properties of (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde?
(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde is sourced from PubChem (CID 134865551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).