(1,2-dicyclohexyl-2-adamantyl)stibane

C22H37Sb — CID 173183806

IUPAC(1,2-dicyclohexyl-2-adamantyl)stibane
SMILES[SbH2]C1(C2CCCCC2)C2CC3CC(C2)CC1(C1CCCCC1)C3
InChIInChI=1S/C22H35.Sb.2H/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20;;;/h16-20H,1-15H2;;;
InChIKeyCDWSHNNGJUSQMO-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.77
Rot. Bonds2

About (1,2-dicyclohexyl-2-adamantyl)stibane

(1,2-dicyclohexyl-2-adamantyl)stibane (PubChem CID 173183806) has the molecular formula C22H37Sb and a molecular weight of 423.30 g/mol. Its IUPAC name is (1,2-dicyclohexyl-2-adamantyl)stibane.

Molecular Properties

Compound Name(1,2-dicyclohexyl-2-adamantyl)stibane
PubChem CID173183806
Molecular FormulaC22H37Sb
Molecular Weight423.30 g/mol
Exact Mass422.19
IUPAC Name(1,2-dicyclohexyl-2-adamantyl)stibane
SMILES[SbH2]C1(C2CCCCC2)C2CC3CC(C2)CC1(C1CCCCC1)C3
InChIInChI=1S/C22H35.Sb.2H/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20;;;/h16-20H,1-15H2;;;
InChIKeyCDWSHNNGJUSQMO-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-dicyclohexyl-2-adamantyl)stibane?
The IUPAC name of (1,2-dicyclohexyl-2-adamantyl)stibane (CID 173183806) is (1,2-dicyclohexyl-2-adamantyl)stibane.
What is the SMILES notation for (1,2-dicyclohexyl-2-adamantyl)stibane?
The canonical SMILES for (1,2-dicyclohexyl-2-adamantyl)stibane is [SbH2]C1(C2CCCCC2)C2CC3CC(C2)CC1(C1CCCCC1)C3.
What is the InChIKey of (1,2-dicyclohexyl-2-adamantyl)stibane?
The InChIKey is CDWSHNNGJUSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35.Sb.2H/c1-3-7-18(8-4-1)21-19-12-16-11-17(13-19)15-22(21,14-16)20-9-5-2-6-10-20;;;/h16-20H,1-15H2;;;.
What are the key properties of (1,2-dicyclohexyl-2-adamantyl)stibane?
(1,2-dicyclohexyl-2-adamantyl)stibane has a molecular weight of 423.30 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dicyclohexyl-2-adamantyl)stibane is sourced from PubChem (CID 173183806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).