3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane

C20H36 — CID 144521814

IUPAC3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
SMILESCC(C)(C)CC1CC(CC(C)(C)C)C2C3CCC(C3)C12
InChIInChI=1S/C20H36/c1-19(2,3)11-15-10-16(12-20(4,5)6)18-14-8-7-13(9-14)17(15)18/h13-18H,7-12H2,1-6H3
InChIKeyAJHNFHXFOFSLGP-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.16
Rot. Bonds2

About 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane

3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane (PubChem CID 144521814) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
PubChem CID144521814
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
SMILESCC(C)(C)CC1CC(CC(C)(C)C)C2C3CCC(C3)C12
InChIInChI=1S/C20H36/c1-19(2,3)11-15-10-16(12-20(4,5)6)18-14-8-7-13(9-14)17(15)18/h13-18H,7-12H2,1-6H3
InChIKeyAJHNFHXFOFSLGP-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58592691
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
CID 145352950
2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
CID 163656344
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
3-(2,2-dimethylpropyl)-2-silabicyclo[2.2.1]heptane
CID 101334913
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938
5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141194212
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane (CID 144521814) is 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane is CC(C)(C)CC1CC(CC(C)(C)C)C2C3CCC(C3)C12.
What is the InChIKey of 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane?
The InChIKey is AJHNFHXFOFSLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-19(2,3)11-15-10-16(12-20(4,5)6)18-14-8-7-13(9-14)17(15)18/h13-18H,7-12H2,1-6H3.
What are the key properties of 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane?
3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane has a molecular weight of 276.51 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 144521814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).