3-propan-2-ylbicyclo[3.1.1]heptane

C10H18 — CID 59796479

IUPAC3-propan-2-ylbicyclo[3.1.1]heptane
SMILESCC(C)C1CC2CC(C2)C1
InChIInChI=1S/C10H18/c1-7(2)10-5-8-3-9(4-8)6-10/h7-10H,3-6H2,1-2H3
InChIKeyIZOIUQLISCEGNZ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About 3-propan-2-ylbicyclo[3.1.1]heptane

3-propan-2-ylbicyclo[3.1.1]heptane (PubChem CID 59796479) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[3.1.1]heptane
PubChem CID59796479
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-propan-2-ylbicyclo[3.1.1]heptane
SMILESCC(C)C1CC2CC(C2)C1
InChIInChI=1S/C10H18/c1-7(2)10-5-8-3-9(4-8)6-10/h7-10H,3-6H2,1-2H3
InChIKeyIZOIUQLISCEGNZ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
(1R,5S)-3-cyclohexyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 58358740
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
adamantane;ethane;methane;2-methylpropane
CID 158164566
3-propan-2-ylbicyclo[3.1.1]heptan-6-amine
CID 158321353
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
adamantane;ethane
CID 90892828
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
propan-2-ylcyclopropane;hydroiodide
CID 162314014
5-tert-butyl-11-propan-2-ylbicyclo[7.3.2]tetradecane
CID 123310491

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbicyclo[3.1.1]heptane?
The IUPAC name of 3-propan-2-ylbicyclo[3.1.1]heptane (CID 59796479) is 3-propan-2-ylbicyclo[3.1.1]heptane.
What is the SMILES notation for 3-propan-2-ylbicyclo[3.1.1]heptane?
The canonical SMILES for 3-propan-2-ylbicyclo[3.1.1]heptane is CC(C)C1CC2CC(C2)C1.
What is the InChIKey of 3-propan-2-ylbicyclo[3.1.1]heptane?
The InChIKey is IZOIUQLISCEGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)10-5-8-3-9(4-8)6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylbicyclo[3.1.1]heptane?
3-propan-2-ylbicyclo[3.1.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[3.1.1]heptane is sourced from PubChem (CID 59796479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).