2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane

C79H151NO7 — CID 158651192

IUPAC2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane
SMILESC1CCC2(C1)CNC2.C1CCC2(C1)COC2.C1CCCCC1.CC(=O)CC1CCCC1.CC(=O)CC1CCCC1.CC1CCCCC1.CCC1CCCC1.CCC1CCCC1.OC1CCCC1.OC1CCCC1.OC1CCCCC1.OC1CCCCC1
InChIInChI=1S/2C8H14O.C7H13N.C7H12O.3C7H14.2C6H12O.C6H12.2C5H10O/c2*1-7(9)6-8-4-2-3-5-8;2*1-2-4-7(3-1)5-8-6-7;1-7-5-3-2-4-6-7;2*1-2-7-5-3-4-6-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*6-5-3-1-2-4-5/h2*8H,2-6H2,1H3;8H,1-6H2;1-6H2;3*7H,2-6H2,1H3;2*6-7H,1-5H2;1-6H2;2*5-6H,1-4H2
InChIKeyIBOQKLJLWCAQES-UHFFFAOYSA-N
MW1227.08 g/mol
LogP21.60
Rot. Bonds6

About 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane

2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane (PubChem CID 158651192) has the molecular formula C79H151NO7 and a molecular weight of 1227.08 g/mol. Its IUPAC name is 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane.

Molecular Properties

Compound Name2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane
PubChem CID158651192
Molecular FormulaC79H151NO7
Molecular Weight1227.08 g/mol
Exact Mass1226.15
IUPAC Name2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane
SMILESC1CCC2(C1)CNC2.C1CCC2(C1)COC2.C1CCCCC1.CC(=O)CC1CCCC1.CC(=O)CC1CCCC1.CC1CCCCC1.CCC1CCCC1.CCC1CCCC1.OC1CCCC1.OC1CCCC1.OC1CCCCC1.OC1CCCCC1
InChIInChI=1S/2C8H14O.C7H13N.C7H12O.3C7H14.2C6H12O.C6H12.2C5H10O/c2*1-7(9)6-8-4-2-3-5-8;2*1-2-4-7(3-1)5-8-6-7;1-7-5-3-2-4-6-7;2*1-2-7-5-3-4-6-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*6-5-3-1-2-4-5/h2*8H,2-6H2,1H3;8H,1-6H2;1-6H2;3*7H,2-6H2,1H3;2*6-7H,1-5H2;1-6H2;2*5-6H,1-4H2
InChIKeyIBOQKLJLWCAQES-UHFFFAOYSA-N
XLogP21.60
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.08
LogP ≤ 521.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane with MolForge

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Related Compounds

1-cyclohexadecylpropan-2-one
CID 175123721
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
5-ethylcyclooctan-1-ol
CID 19931411
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
ethane;8-ethyl-2-azaspiro[4.6]undecane
CID 168995957
ethane;ethylcyclopentane;methylcyclohexane;2-methyloxirane
CID 158402026
1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
CID 84648509
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
11-ethyl-7-oxa-16-azadispiro[5.1.68.36]heptadecane
CID 65213736
1-ethyl-4-methylcyclooctane;methane
CID 159989571

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane?
The IUPAC name of 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane (CID 158651192) is 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane.
What is the SMILES notation for 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane?
The canonical SMILES for 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane is C1CCC2(C1)CNC2.C1CCC2(C1)COC2.C1CCCCC1.CC(=O)CC1CCCC1.CC(=O)CC1CCCC1.CC1CCCCC1.CCC1CCCC1.CCC1CCCC1.OC1CCCC1.OC1CCCC1.OC1CCCCC1.OC1CCCCC1.
What is the InChIKey of 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane?
The InChIKey is IBOQKLJLWCAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14O.C7H13N.C7H12O.3C7H14.2C6H12O.C6H12.2C5H10O/c2*1-7(9)6-8-4-2-3-5-8;2*1-2-4-7(3-1)5-8-6-7;1-7-5-3-2-4-6-7;2*1-2-7-5-3-4-6-7;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*6-5-3-1-2-4-5/h2*8H,2-6H2,1H3;8H,1-6H2;1-6H2;3*7H,2-6H2,1H3;2*6-7H,1-5H2;1-6H2;2*5-6H,1-4H2.
What are the key properties of 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane?
2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane has a molecular weight of 1227.08 g/mol, XLogP of 21.60, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane is sourced from PubChem (CID 158651192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).