3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane

C15H28 — CID 123466249

IUPAC3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
SMILESCCCCC1(C)C2CC(C)(CC2C)C1C
InChIInChI=1S/C15H28/c1-6-7-8-15(5)12(3)14(4)9-11(2)13(15)10-14/h11-13H,6-10H2,1-5H3
InChIKeyILACYOYDHSDMON-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds3

About 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane

3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane (PubChem CID 123466249) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
PubChem CID123466249
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
SMILESCCCCC1(C)C2CC(C)(CC2C)C1C
InChIInChI=1S/C15H28/c1-6-7-8-15(5)12(3)14(4)9-11(2)13(15)10-14/h11-13H,6-10H2,1-5H3
InChIKeyILACYOYDHSDMON-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123195778
CID 123789898
CID 123789898
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CID 162724820
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
1-butyl-1,3-dimethylcyclopentane
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(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
CID 166652278
(1R,3R)-1,4-dimethyl-3-nitroso-3-pentylbicyclo[3.1.0]hexane
CID 163488564
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
CID 163618137
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
CID 123649878

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane (CID 123466249) is 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane is CCCCC1(C)C2CC(C)(CC2C)C1C.
What is the InChIKey of 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is ILACYOYDHSDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-7-8-15(5)12(3)14(4)9-11(2)13(15)10-14/h11-13H,6-10H2,1-5H3.
What are the key properties of 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane?
3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 123466249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).