3-propylbicyclo[4.2.0]octane

C11H20 — CID 145186098

IUPAC3-propylbicyclo[4.2.0]octane
SMILESCCCC1CCC2CCC2C1
InChIInChI=1S/C11H20/c1-2-3-9-4-5-10-6-7-11(10)8-9/h9-11H,2-8H2,1H3
InChIKeyUHLKMZPLYQJHGX-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 3-propylbicyclo[4.2.0]octane

3-propylbicyclo[4.2.0]octane (PubChem CID 145186098) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-propylbicyclo[4.2.0]octane.

Molecular Properties

Compound Name3-propylbicyclo[4.2.0]octane
PubChem CID145186098
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-propylbicyclo[4.2.0]octane
SMILESCCCC1CCC2CCC2C1
InChIInChI=1S/C11H20/c1-2-3-9-4-5-10-6-7-11(10)8-9/h9-11H,2-8H2,1H3
InChIKeyUHLKMZPLYQJHGX-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
2-[(E)-pent-3-enyl]-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866166
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 18603491
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 18603493
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022

Frequently Asked Questions

What is the IUPAC name of 3-propylbicyclo[4.2.0]octane?
The IUPAC name of 3-propylbicyclo[4.2.0]octane (CID 145186098) is 3-propylbicyclo[4.2.0]octane.
What is the SMILES notation for 3-propylbicyclo[4.2.0]octane?
The canonical SMILES for 3-propylbicyclo[4.2.0]octane is CCCC1CCC2CCC2C1.
What is the InChIKey of 3-propylbicyclo[4.2.0]octane?
The InChIKey is UHLKMZPLYQJHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-3-9-4-5-10-6-7-11(10)8-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-propylbicyclo[4.2.0]octane?
3-propylbicyclo[4.2.0]octane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylbicyclo[4.2.0]octane is sourced from PubChem (CID 145186098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).