1,2,7-trimethyltricyclo[3.3.2.03,7]decane

C13H22 — CID 123867708

IUPAC1,2,7-trimethyltricyclo[3.3.2.03,7]decane
SMILESCC1C2CC3CCC1(C)CC2(C)C3
InChIInChI=1S/C13H22/c1-9-11-6-10-4-5-12(9,2)8-13(11,3)7-10/h9-11H,4-8H2,1-3H3
InChIKeyRDSKRCCMOZMNSW-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds

About 1,2,7-trimethyltricyclo[3.3.2.03,7]decane

1,2,7-trimethyltricyclo[3.3.2.03,7]decane (PubChem CID 123867708) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2,7-trimethyltricyclo[3.3.2.03,7]decane.

Molecular Properties

Compound Name1,2,7-trimethyltricyclo[3.3.2.03,7]decane
PubChem CID123867708
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2,7-trimethyltricyclo[3.3.2.03,7]decane
SMILESCC1C2CC3CCC1(C)CC2(C)C3
InChIInChI=1S/C13H22/c1-9-11-6-10-4-5-12(9,2)8-13(11,3)7-10/h9-11H,4-8H2,1-3H3
InChIKeyRDSKRCCMOZMNSW-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

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1,8,11-trimethyltricyclo[6.5.1.02,7]tetradecane
CID 154517445
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
3-bromo-9-methyltricyclo[5.3.1.04,9]undecane
CID 130305948
1-methyl-2-azabicyclo[2.2.1]heptane;hydroiodide
CID 173152924
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
3,4-dimethyladamantan-1-amine
CID 67779932
1-[(1S,2S)-1-methyl-2-bicyclo[2.2.1]heptanyl]-3-nitrobutan-2-ol
CID 67882697
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
CID 167712089

Frequently Asked Questions

What is the IUPAC name of 1,2,7-trimethyltricyclo[3.3.2.03,7]decane?
The IUPAC name of 1,2,7-trimethyltricyclo[3.3.2.03,7]decane (CID 123867708) is 1,2,7-trimethyltricyclo[3.3.2.03,7]decane.
What is the SMILES notation for 1,2,7-trimethyltricyclo[3.3.2.03,7]decane?
The canonical SMILES for 1,2,7-trimethyltricyclo[3.3.2.03,7]decane is CC1C2CC3CCC1(C)CC2(C)C3.
What is the InChIKey of 1,2,7-trimethyltricyclo[3.3.2.03,7]decane?
The InChIKey is RDSKRCCMOZMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-9-11-6-10-4-5-12(9,2)8-13(11,3)7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,2,7-trimethyltricyclo[3.3.2.03,7]decane?
1,2,7-trimethyltricyclo[3.3.2.03,7]decane 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 1,2,7-trimethyltricyclo[3.3.2.03,7]decane is sourced from PubChem (CID 123867708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).