5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane

C20H34 — CID 5232068

IUPAC5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane
SMILESCC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3
InChIInChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3
InChIKeyIVZWRQBQDVHDNG-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.06
Rot. Bonds

About 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane

5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane (PubChem CID 5232068) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane.

Molecular Properties

Compound Name5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane
PubChem CID5232068
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane
SMILESCC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3
InChIInChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3
InChIKeyIVZWRQBQDVHDNG-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane?
The IUPAC name of 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane (CID 5232068) is 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane.
What is the SMILES notation for 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane?
The canonical SMILES for 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane is CC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3.
What is the InChIKey of 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane?
The InChIKey is IVZWRQBQDVHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3.
What are the key properties of 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane?
5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane has a molecular weight of 274.49 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane is sourced from PubChem (CID 5232068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).