3-propylbicyclo[5.1.0]octane

C11H20 — CID 123651402

IUPAC3-propylbicyclo[5.1.0]octane
SMILESCCCC1CCCC2CC2C1
InChIInChI=1S/C11H20/c1-2-4-9-5-3-6-10-8-11(10)7-9/h9-11H,2-8H2,1H3
InChIKeyQLLXIKVCMBGHLG-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds2

About 3-propylbicyclo[5.1.0]octane

3-propylbicyclo[5.1.0]octane (PubChem CID 123651402) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-propylbicyclo[5.1.0]octane.

Molecular Properties

Compound Name3-propylbicyclo[5.1.0]octane
PubChem CID123651402
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-propylbicyclo[5.1.0]octane
SMILESCCCC1CCCC2CC2C1
InChIInChI=1S/C11H20/c1-2-4-9-5-3-6-10-8-11(10)7-9/h9-11H,2-8H2,1H3
InChIKeyQLLXIKVCMBGHLG-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
trans-(1R,3R)-1-butyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640232
3-propylbicyclo[4.2.0]octane
CID 145186098
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-ethyl-3-propylcyclohexane
CID 22129036
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1-cyclohexyl-6-propylcyclodecane
CID 58552139
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
1-chloro-3-propylcyclohexane
CID 64516368

Frequently Asked Questions

What is the IUPAC name of 3-propylbicyclo[5.1.0]octane?
The IUPAC name of 3-propylbicyclo[5.1.0]octane (CID 123651402) is 3-propylbicyclo[5.1.0]octane.
What is the SMILES notation for 3-propylbicyclo[5.1.0]octane?
The canonical SMILES for 3-propylbicyclo[5.1.0]octane is CCCC1CCCC2CC2C1.
What is the InChIKey of 3-propylbicyclo[5.1.0]octane?
The InChIKey is QLLXIKVCMBGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-2-4-9-5-3-6-10-8-11(10)7-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-propylbicyclo[5.1.0]octane?
3-propylbicyclo[5.1.0]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[5.1.0]octane is sourced from PubChem (CID 123651402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).