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

C13H22 — CID 142502151

IUPAC4,4,10-trimethyltricyclo[5.2.1.02,6]decane
SMILESCC1C2CCC1C1CC(C)(C)CC21
InChIInChI=1S/C13H22/c1-8-9-4-5-10(8)12-7-13(2,3)6-11(9)12/h8-12H,4-7H2,1-3H3
InChIKeyZOXYWJCXKKFRGY-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds

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

4,4,10-trimethyltricyclo[5.2.1.02,6]decane (PubChem CID 142502151) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4,4,10-trimethyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4,4,10-trimethyltricyclo[5.2.1.02,6]decane
PubChem CID142502151
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4,4,10-trimethyltricyclo[5.2.1.02,6]decane
SMILESCC1C2CCC1C1CC(C)(C)CC21
InChIInChI=1S/C13H22/c1-8-9-4-5-10(8)12-7-13(2,3)6-11(9)12/h8-12H,4-7H2,1-3H3
InChIKeyZOXYWJCXKKFRGY-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
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5,8,8,11-tetramethyl-11,12,13-triazatricyclo[8.3.0.04,6]trideca-1(10),12-diene
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1,4-dimethyltricyclo[3.2.1.03,8]octane
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Frequently Asked Questions

What is the IUPAC name of 4,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 4,4,10-trimethyltricyclo[5.2.1.02,6]decane (CID 142502151) is 4,4,10-trimethyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4,4,10-trimethyltricyclo[5.2.1.02,6]decane is CC1C2CCC1C1CC(C)(C)CC21.
What is the InChIKey of 4,4,10-trimethyltricyclo[5.2.1.02,6]decane?
The InChIKey is ZOXYWJCXKKFRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-8-9-4-5-10(8)12-7-13(2,3)6-11(9)12/h8-12H,4-7H2,1-3H3.
What are the key properties of 4,4,10-trimethyltricyclo[5.2.1.02,6]decane?
4,4,10-trimethyltricyclo[5.2.1.02,6]decane has a molecular weight of 178.32 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10-trimethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 142502151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).