14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane

C28H50Cl2O2 — CID 18633598

IUPAC14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C28H50Cl2O2/c1-3-5-7-9-11-21-31-24-13-17-26(18-14-24)23-27(28(26,29)30)19-15-25(16-20-27)32-22-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyRLZLCZVXLXPKIV-UHFFFAOYSA-N
MW489.61 g/mol
LogP9.40
Rot. Bonds14

About 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane

14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633598) has the molecular formula C28H50Cl2O2 and a molecular weight of 489.61 g/mol. Its IUPAC name is 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
PubChem CID18633598
Molecular FormulaC28H50Cl2O2
Molecular Weight489.61 g/mol
Exact Mass488.32
IUPAC Name14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C28H50Cl2O2/c1-3-5-7-9-11-21-31-24-13-17-26(18-14-24)23-27(28(26,29)30)19-15-25(16-20-27)32-22-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyRLZLCZVXLXPKIV-UHFFFAOYSA-N
XLogP9.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane 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 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane (CID 18633598) is 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane is CCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCC)CC1)C2(Cl)Cl.
What is the InChIKey of 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane?
The InChIKey is RLZLCZVXLXPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50Cl2O2/c1-3-5-7-9-11-21-31-24-13-17-26(18-14-24)23-27(28(26,29)30)19-15-25(16-20-27)32-22-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3.
What are the key properties of 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane?
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane has a molecular weight of 489.61 g/mol, XLogP of 9.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).