16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane

C24H44O — CID 118978024

IUPAC16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane
SMILESC=C1CCCCCCCCCCC2CCC(OC)CC1CCC2(C)C
InChIInChI=1S/C24H44O/c1-20-13-11-9-7-5-6-8-10-12-14-22-15-16-23(25-4)19-21(20)17-18-24(22,2)3/h21-23H,1,5-19H2,2-4H3
InChIKeyCRGGDCFOBJRGOD-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.69
Rot. Bonds1

About 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane

16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane (PubChem CID 118978024) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane.

Molecular Properties

Compound Name16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane
PubChem CID118978024
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane
SMILESC=C1CCCCCCCCCCC2CCC(OC)CC1CCC2(C)C
InChIInChI=1S/C24H44O/c1-20-13-11-9-7-5-6-8-10-12-14-22-15-16-23(25-4)19-21(20)17-18-24(22,2)3/h21-23H,1,5-19H2,2-4H3
InChIKeyCRGGDCFOBJRGOD-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane?
The IUPAC name of 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane (CID 118978024) is 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane.
What is the SMILES notation for 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane?
The canonical SMILES for 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane is C=C1CCCCCCCCCCC2CCC(OC)CC1CCC2(C)C.
What is the InChIKey of 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane?
The InChIKey is CRGGDCFOBJRGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O/c1-20-13-11-9-7-5-6-8-10-12-14-22-15-16-23(25-4)19-21(20)17-18-24(22,2)3/h21-23H,1,5-19H2,2-4H3.
What are the key properties of 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane?
16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane has a molecular weight of 348.62 g/mol, XLogP of 7.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-20,20-dimethyl-2-methylidenebicyclo[11.4.3]icosane is sourced from PubChem (CID 118978024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).