1,5-di(propan-2-yl)bicyclo[3.3.3]undecane

C17H32 — CID 177092419

IUPAC1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
SMILESCC(C)C12CCCC(C(C)C)(CCC1)CCC2
InChIInChI=1S/C17H32/c1-14(2)16-8-5-11-17(15(3)4,12-6-9-16)13-7-10-16/h14-15H,5-13H2,1-4H3
InChIKeySWEHUEVVQGDOAS-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.81
Rot. Bonds2

About 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane

1,5-di(propan-2-yl)bicyclo[3.3.3]undecane (PubChem CID 177092419) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
PubChem CID177092419
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
SMILESCC(C)C12CCCC(C(C)C)(CCC1)CCC2
InChIInChI=1S/C17H32/c1-14(2)16-8-5-11-17(15(3)4,12-6-9-16)13-7-10-16/h14-15H,5-13H2,1-4H3
InChIKeySWEHUEVVQGDOAS-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-5-propan-2-ylbicyclo[3.3.2]decane
CID 171426814
1-fluoro-5-propan-2-ylbicyclo[3.3.1]nonane
CID 167137861
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
1-(2-methylbutan-2-yl)-6-propan-2-ylbicyclo[4.3.1]decane
CID 163486392
1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 143346780
1,1-di(propan-2-yl)cycloheptane
CID 23589303
7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876
1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
CID 164846029
trans-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 130706001
trans-(1R,2R)-1-methyl-2-propan-2-ylcyclopentane-1,2-diol
CID 45096065
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane?
The IUPAC name of 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane (CID 177092419) is 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane.
What is the SMILES notation for 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane?
The canonical SMILES for 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane is CC(C)C12CCCC(C(C)C)(CCC1)CCC2.
What is the InChIKey of 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane?
The InChIKey is SWEHUEVVQGDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-14(2)16-8-5-11-17(15(3)4,12-6-9-16)13-7-10-16/h14-15H,5-13H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane?
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane has a molecular weight of 236.44 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)bicyclo[3.3.3]undecane is sourced from PubChem (CID 177092419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).