2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane

C13H22 — CID 123342459

IUPAC2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane
SMILESCC1CC(C)C23CC2C(C)(C3)C1C
InChIInChI=1S/C13H22/c1-8-5-9(2)13-6-11(13)12(4,7-13)10(8)3/h8-11H,5-7H2,1-4H3
InChIKeyWDPLOAMSMSMCDK-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds

About 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane

2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane (PubChem CID 123342459) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane.

Molecular Properties

Compound Name2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane
PubChem CID123342459
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane
SMILESCC1CC(C)C23CC2C(C)(C3)C1C
InChIInChI=1S/C13H22/c1-8-5-9(2)13-6-11(13)12(4,7-13)10(8)3/h8-11H,5-7H2,1-4H3
InChIKeyWDPLOAMSMSMCDK-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane?
The IUPAC name of 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane (CID 123342459) is 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane.
What is the SMILES notation for 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane?
The canonical SMILES for 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane is CC1CC(C)C23CC2C(C)(C3)C1C.
What is the InChIKey of 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane?
The InChIKey is WDPLOAMSMSMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-8-5-9(2)13-6-11(13)12(4,7-13)10(8)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane?
2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane has a molecular weight of 178.32 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethyltricyclo[4.2.1.01,7]nonane is sourced from PubChem (CID 123342459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).