2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane

C15H24 — CID 140915276

IUPAC2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC(C)(C)C1C2CC3CC4CC1C4(C3)C2
InChIInChI=1S/C15H24/c1-14(2,3)13-10-4-9-5-11-6-12(13)15(11,7-9)8-10/h9-13H,4-8H2,1-3H3
InChIKeyJBTILSUPGFMILT-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.10
Rot. Bonds

About 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane

2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane (PubChem CID 140915276) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane.

Molecular Properties

Compound Name2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane
PubChem CID140915276
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC(C)(C)C1C2CC3CC4CC1C4(C3)C2
InChIInChI=1S/C15H24/c1-14(2,3)13-10-4-9-5-11-6-12(13)15(11,7-9)8-10/h9-13H,4-8H2,1-3H3
InChIKeyJBTILSUPGFMILT-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane
CID 134203157
(4R)-4-methyltetracyclo[5.2.1.03,8.05,8]decane
CID 149085298
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(4-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl) 5-tert-butyl-6-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 163980235
(2-methyl-2-adamantyl) 3,3-difluoro-2-oxobutanoate
CID 157132443
2,2-ditert-butyl-6-(2-methoxypropan-2-yl)bicyclo[2.2.1]heptane
CID 90961483
2-[1-(2,2-dimethylpropanoyloxy)-2-adamantyl]acetic acid
CID 130249816
N-(4-tert-butyl-1-adamantyl)-2-phenylacetamide
CID 137482576
1-(4-tert-butyl-1-adamantyl)-3-phenylurea
CID 134204473
1-methyltetracyclo[5.3.1.03,9.05,9]undecane
CID 23551663
6-azatetracyclo[6.3.1.03,10.05,10]dodecane
CID 163941140

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane?
The IUPAC name of 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane (CID 140915276) is 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane.
What is the SMILES notation for 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane?
The canonical SMILES for 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane is CC(C)(C)C1C2CC3CC4CC1C4(C3)C2.
What is the InChIKey of 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane?
The InChIKey is JBTILSUPGFMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-14(2,3)13-10-4-9-5-11-6-12(13)15(11,7-9)8-10/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane?
2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane has a molecular weight of 204.36 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyltetracyclo[5.3.1.03,9.05,9]undecane is sourced from PubChem (CID 140915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).