3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane

C13H22 — CID 123897411

IUPAC3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
SMILESCC1CC23CC(C)C2(C)CC1(C)C3
InChIInChI=1S/C13H22/c1-9-5-13-6-10(2)12(13,4)7-11(9,3)8-13/h9-10H,5-8H2,1-4H3
InChIKeyPNUYNBIPFZFQOG-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds

About 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane

3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane (PubChem CID 123897411) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane.

Molecular Properties

Compound Name3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
PubChem CID123897411
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
SMILESCC1CC23CC(C)C2(C)CC1(C)C3
InChIInChI=1S/C13H22/c1-9-5-13-6-10(2)12(13,4)7-11(9,3)8-13/h9-10H,5-8H2,1-4H3
InChIKeyPNUYNBIPFZFQOG-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-1,2,4-trimethylbicyclo[2.2.1]heptane
CID 140839293
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
CID 123956231
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
2,5-dimethylspiro[2.2]pentan-2-amine
CID 70451349
6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
CID 123365588
(1R,5R,6S,9R,10S)-5,6,10-trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
CID 44575859
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
1,2,6,6-tetramethylbicyclo[3.2.1]octane
CID 91498666
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
CID 123829130

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane?
The IUPAC name of 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane (CID 123897411) is 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane.
What is the SMILES notation for 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane?
The canonical SMILES for 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane is CC1CC23CC(C)C2(C)CC1(C)C3.
What is the InChIKey of 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane?
The InChIKey is PNUYNBIPFZFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-9-5-13-6-10(2)12(13,4)7-11(9,3)8-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane?
3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane is sourced from PubChem (CID 123897411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).