1-pentan-2-ylbicyclo[3.1.0]hexane

C11H20 — CID 147905312

IUPAC1-pentan-2-ylbicyclo[3.1.0]hexane
SMILESCCCC(C)C12CCCC1C2
InChIInChI=1S/C11H20/c1-3-5-9(2)11-7-4-6-10(11)8-11/h9-10H,3-8H2,1-2H3
InChIKeyIFBKVTOCFMNRAW-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds3

About 1-pentan-2-ylbicyclo[3.1.0]hexane

1-pentan-2-ylbicyclo[3.1.0]hexane (PubChem CID 147905312) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-pentan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-pentan-2-ylbicyclo[3.1.0]hexane
PubChem CID147905312
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-pentan-2-ylbicyclo[3.1.0]hexane
SMILESCCCC(C)C12CCCC1C2
InChIInChI=1S/C11H20/c1-3-5-9(2)11-7-4-6-10(11)8-11/h9-10H,3-8H2,1-2H3
InChIKeyIFBKVTOCFMNRAW-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
4-cyclohexyl-4-pentan-2-ylcyclohexan-1-one
CID 45073577
1-cyclohexyl-4-(2-fluoroethyl)-1-pentan-2-ylcyclohexane
CID 54278604
3,5-dimethyl-1-pentan-2-ylbicyclo[2.2.0]hexane
CID 123162536
1-butan-2-yl-1-cyclopentylcyclopentane;silane
CID 160938684
2-cyclopropyl-2-pentan-2-ylpyrrolidine
CID 107896605
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
1-pentan-3-ylbicyclo[2.1.0]pentane
CID 123671929
2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
CID 130834446
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
tert-butyl 2-(1-bicyclo[4.1.0]heptanyl)hexanoate
CID 101408439

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of 1-pentan-2-ylbicyclo[3.1.0]hexane (CID 147905312) is 1-pentan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for 1-pentan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for 1-pentan-2-ylbicyclo[3.1.0]hexane is CCCC(C)C12CCCC1C2.
What is the InChIKey of 1-pentan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is IFBKVTOCFMNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-5-9(2)11-7-4-6-10(11)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-pentan-2-ylbicyclo[3.1.0]hexane?
1-pentan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 147905312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).