2,4,10-trimethyltricyclo[5.3.0.01,5]decane

C13H22 — CID 123676036

IUPAC2,4,10-trimethyltricyclo[5.3.0.01,5]decane
SMILESCC1CC(C)C23C(C)CCC2CC13
InChIInChI=1S/C13H22/c1-8-6-10(3)13-9(2)4-5-11(13)7-12(8)13/h8-12H,4-7H2,1-3H3
InChIKeyIRXAKAADAYVIHG-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds

About 2,4,10-trimethyltricyclo[5.3.0.01,5]decane

2,4,10-trimethyltricyclo[5.3.0.01,5]decane (PubChem CID 123676036) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,4,10-trimethyltricyclo[5.3.0.01,5]decane.

Molecular Properties

Compound Name2,4,10-trimethyltricyclo[5.3.0.01,5]decane
PubChem CID123676036
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,4,10-trimethyltricyclo[5.3.0.01,5]decane
SMILESCC1CC(C)C23C(C)CCC2CC13
InChIInChI=1S/C13H22/c1-8-6-10(3)13-9(2)4-5-11(13)7-12(8)13/h8-12H,4-7H2,1-3H3
InChIKeyIRXAKAADAYVIHG-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

(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269078
1,2,4,6-tetramethylspiro[2.3]hexane
CID 91567702
7-methyltricyclo[4.3.0.01,3]nonane
CID 123597135
4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol
CID 139983531
2,2,3-trimethyl-3-(2-methylcyclopropyl)cyclopropan-1-amine
CID 130631379
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 90723342

Frequently Asked Questions

What is the IUPAC name of 2,4,10-trimethyltricyclo[5.3.0.01,5]decane?
The IUPAC name of 2,4,10-trimethyltricyclo[5.3.0.01,5]decane (CID 123676036) is 2,4,10-trimethyltricyclo[5.3.0.01,5]decane.
What is the SMILES notation for 2,4,10-trimethyltricyclo[5.3.0.01,5]decane?
The canonical SMILES for 2,4,10-trimethyltricyclo[5.3.0.01,5]decane is CC1CC(C)C23C(C)CCC2CC13.
What is the InChIKey of 2,4,10-trimethyltricyclo[5.3.0.01,5]decane?
The InChIKey is IRXAKAADAYVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-8-6-10(3)13-9(2)4-5-11(13)7-12(8)13/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,4,10-trimethyltricyclo[5.3.0.01,5]decane?
2,4,10-trimethyltricyclo[5.3.0.01,5]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 2,4,10-trimethyltricyclo[5.3.0.01,5]decane is sourced from PubChem (CID 123676036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).