3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane

C13H24 — CID 123162536

IUPAC3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
SMILESCCCC(C)C12CC(C)C1C(C)C2
InChIInChI=1S/C13H24/c1-5-6-11(4)13-7-9(2)12(13)10(3)8-13/h9-12H,5-8H2,1-4H3
InChIKeyAIMBHNUBFCNTRZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds3

About 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane

3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane (PubChem CID 123162536) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
PubChem CID123162536
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
SMILESCCCC(C)C12CC(C)C1C(C)C2
InChIInChI=1S/C13H24/c1-5-6-11(4)13-7-9(2)12(13)10(3)8-13/h9-12H,5-8H2,1-4H3
InChIKeyAIMBHNUBFCNTRZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
3-fluoro-3-pentan-2-ylcyclobutan-1-amine
CID 107889771
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 107898475
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane?
The IUPAC name of 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane (CID 123162536) is 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane.
What is the SMILES notation for 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane?
The canonical SMILES for 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane is CCCC(C)C12CC(C)C1C(C)C2.
What is the InChIKey of 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane?
The InChIKey is AIMBHNUBFCNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-11(4)13-7-9(2)12(13)10(3)8-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane?
3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123162536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).