15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane

C21H24Cl2 — CID 134979731

IUPAC15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane
SMILESClC1(Cl)C2(C3(CC3)C3(CC3)C23CC3)C12C1(CC1)C1(CC1)C21CC1
InChIInChI=1S/C21H24Cl2/c22-21(23)19(15(5-6-15)13(1-2-13)16(19)7-8-16)20(21)17(9-10-17)14(3-4-14)18(20)11-12-18/h1-12H2
InChIKeyNGNHFITXYVHBDJ-UHFFFAOYSA-N
MW347.33 g/mol
LogP5.86
Rot. Bonds

About 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane

15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane (PubChem CID 134979731) has the molecular formula C21H24Cl2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane.

Molecular Properties

Compound Name15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane
PubChem CID134979731
Molecular FormulaC21H24Cl2
Molecular Weight347.33 g/mol
Exact Mass346.13
IUPAC Name15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane
SMILESClC1(Cl)C2(C3(CC3)C3(CC3)C23CC3)C12C1(CC1)C1(CC1)C21CC1
InChIInChI=1S/C21H24Cl2/c22-21(23)19(15(5-6-15)13(1-2-13)16(19)7-8-16)20(21)17(9-10-17)14(3-4-14)18(20)11-12-18/h1-12H2
InChIKeyNGNHFITXYVHBDJ-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.33
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane?
The IUPAC name of 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane (CID 134979731) is 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane.
What is the SMILES notation for 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane?
The canonical SMILES for 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane is ClC1(Cl)C2(C3(CC3)C3(CC3)C23CC3)C12C1(CC1)C1(CC1)C21CC1.
What is the InChIKey of 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane?
The InChIKey is NGNHFITXYVHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2/c22-21(23)19(15(5-6-15)13(1-2-13)16(19)7-8-16)20(21)17(9-10-17)14(3-4-14)18(20)11-12-18/h1-12H2.
What are the key properties of 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane?
15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane has a molecular weight of 347.33 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dichlorooctaspiro[2.0.0.0.26.0.29.0.212.05.14.0.216.0.219.03]henicosane is sourced from PubChem (CID 134979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).