1,5,7-trimethyltricyclo[4.2.1.03,9]nonane

C12H20 — CID 123325101

IUPAC1,5,7-trimethyltricyclo[4.2.1.03,9]nonane
SMILESCC1CC2CC3(C)CC(C)C1C23
InChIInChI=1S/C12H20/c1-7-4-9-6-12(3)5-8(2)10(7)11(9)12/h7-11H,4-6H2,1-3H3
InChIKeyJPKCSHBDHVZXMQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds

About 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane

1,5,7-trimethyltricyclo[4.2.1.03,9]nonane (PubChem CID 123325101) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane.

Molecular Properties

Compound Name1,5,7-trimethyltricyclo[4.2.1.03,9]nonane
PubChem CID123325101
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,5,7-trimethyltricyclo[4.2.1.03,9]nonane
SMILESCC1CC2CC3(C)CC(C)C1C23
InChIInChI=1S/C12H20/c1-7-4-9-6-12(3)5-8(2)10(7)11(9)12/h7-11H,4-6H2,1-3H3
InChIKeyJPKCSHBDHVZXMQ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
CID 123705206
3',6-dimethylspiro[bicyclo[2.2.0]hexane-2,2'-oxirane];ethane
CID 145370070
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619
(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane
CID 143715084
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
5-(2,4,4-trimethylcyclopentyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106663508
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane?
The IUPAC name of 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane (CID 123325101) is 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane.
What is the SMILES notation for 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane?
The canonical SMILES for 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane is CC1CC2CC3(C)CC(C)C1C23.
What is the InChIKey of 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane?
The InChIKey is JPKCSHBDHVZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7-4-9-6-12(3)5-8(2)10(7)11(9)12/h7-11H,4-6H2,1-3H3.
What are the key properties of 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane?
1,5,7-trimethyltricyclo[4.2.1.03,9]nonane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyltricyclo[4.2.1.03,9]nonane is sourced from PubChem (CID 123325101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).