3,4,10-trimethyltricyclo[5.2.1.02,6]decane

C13H22 — CID 20593718

IUPAC3,4,10-trimethyltricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3C)C2C1C
InChIInChI=1S/C13H22/c1-7-6-12-10-4-5-11(9(10)3)13(12)8(7)2/h7-13H,4-6H2,1-3H3
InChIKeyNFQMPKDSAIXJOO-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.57
Rot. Bonds

About 3,4,10-trimethyltricyclo[5.2.1.02,6]decane

3,4,10-trimethyltricyclo[5.2.1.02,6]decane (PubChem CID 20593718) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3,4,10-trimethyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3,4,10-trimethyltricyclo[5.2.1.02,6]decane
PubChem CID20593718
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3,4,10-trimethyltricyclo[5.2.1.02,6]decane
SMILESCC1CC2C3CCC(C3C)C2C1C
InChIInChI=1S/C13H22/c1-7-6-12-10-4-5-11(9(10)3)13(12)8(7)2/h7-13H,4-6H2,1-3H3
InChIKeyNFQMPKDSAIXJOO-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
CID 90804834
azane;5-methylbicyclo[2.1.0]pentane
CID 68525999
2-methyl-3-(2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 91187285
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
2,5,7,9-tetramethylbicyclo[4.2.1]nonane
CID 123564718
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408

Frequently Asked Questions

What is the IUPAC name of 3,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 3,4,10-trimethyltricyclo[5.2.1.02,6]decane (CID 20593718) is 3,4,10-trimethyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3,4,10-trimethyltricyclo[5.2.1.02,6]decane is CC1CC2C3CCC(C3C)C2C1C.
What is the InChIKey of 3,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The InChIKey is NFQMPKDSAIXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-7-6-12-10-4-5-11(9(10)3)13(12)8(7)2/h7-13H,4-6H2,1-3H3.
What are the key properties of 3,4,10-trimethyltricyclo[5.2.1.02,6]decane?
3,4,10-trimethyltricyclo[5.2.1.02,6]decane has a molecular weight of 178.32 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,10-trimethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 20593718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).