1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane

C13H22 — CID 140892092

IUPAC1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
SMILESCC12CC3(C)CC(C)(C1)C(C)(C2)C3
InChIInChI=1S/C13H22/c1-10-5-11(2)8-12(3,6-10)13(4,7-10)9-11/h5-9H2,1-4H3
InChIKeyCSZCHGMFQLGIEP-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds

About 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane

1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane (PubChem CID 140892092) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
PubChem CID140892092
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
SMILESCC12CC3(C)CC(C)(C1)C(C)(C2)C3
InChIInChI=1S/C13H22/c1-10-5-11(2)8-12(3,6-10)13(4,7-10)9-11/h5-9H2,1-4H3
InChIKeyCSZCHGMFQLGIEP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,7-dimethyltetracyclo[3.3.1.13,7.01,3]decane
CID 101114626
1-fluoro-3,5,7-trimethyladamantane
CID 23235267
azanium 3,5,7-trimethyladamantan-1-olate
CID 142767808
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1,3,3,5-tetramethylbicyclo[3.1.0]hexane
CID 174953596
[3,5-dimethyl-7-(trimethylazaniumyl)-1-adamantyl]-trimethylazanium
CID 139145155
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
CID 4702161
1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
CID 159055712
1,4-dimethylbicyclo[2.1.1]hexane;bis(1,4-dimethylbicyclo[2.2.2]octane);1,3-dimethylbicyclo[1.1.1]pentane;1,4-dimethylcubane
CID 167594424
1-bromo-3-methylbicyclo[1.1.0]butane
CID 13300168
(2'S,3'R,5S,7R)-2',3'-dichloro-3,5,7-trimethylspiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclopropane]
CID 10901783

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane?
The IUPAC name of 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane (CID 140892092) is 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane is CC12CC3(C)CC(C)(C1)C(C)(C2)C3.
What is the InChIKey of 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane?
The InChIKey is CSZCHGMFQLGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10-5-11(2)8-12(3,6-10)13(4,7-10)9-11/h5-9H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane?
1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane has a molecular weight of 178.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 140892092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).