bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)

C32H66 — CID 173410079

IUPACbicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)
SMILESC1CCC2CC2CC1.CCCCC1CC1C.CCCCCCCC.CCCCCCCC
InChIInChI=1S/C8H14.C8H16.2C8H18/c1-2-4-7-6-8(7)5-3-1;1-3-4-5-8-6-7(8)2;2*1-3-5-7-8-6-4-2/h7-8H,1-6H2;7-8H,3-6H2,1-2H3;2*3-8H2,1-2H3
InChIKeyZLHAZTCPCIGMGO-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.15
Rot. Bonds13

About bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)

bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) (PubChem CID 173410079) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane).

Molecular Properties

Compound Namebicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)
PubChem CID173410079
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Namebicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)
SMILESC1CCC2CC2CC1.CCCCC1CC1C.CCCCCCCC.CCCCCCCC
InChIInChI=1S/C8H14.C8H16.2C8H18/c1-2-4-7-6-8(7)5-3-1;1-3-4-5-8-6-7(8)2;2*1-3-5-7-8-6-4-2/h7-8H,1-6H2;7-8H,3-6H2,1-2H3;2*3-8H2,1-2H3
InChIKeyZLHAZTCPCIGMGO-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-pentadecylcyclopropane
CID 54385825
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-decyl-2-methylcyclohexane
CID 123746851
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
3-(3-ethyl-4-methylcyclohexyl)-14-pentylbicyclo[9.4.0]pentadecane
CID 58552613
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
tetradecylcycloundecane
CID 169026040

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)?
The IUPAC name of bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) (CID 173410079) is bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane).
What is the SMILES notation for bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)?
The canonical SMILES for bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) is C1CCC2CC2CC1.CCCCC1CC1C.CCCCCCCC.CCCCCCCC.
What is the InChIKey of bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)?
The InChIKey is ZLHAZTCPCIGMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C8H16.2C8H18/c1-2-4-7-6-8(7)5-3-1;1-3-4-5-8-6-7(8)2;2*1-3-5-7-8-6-4-2/h7-8H,1-6H2;7-8H,3-6H2,1-2H3;2*3-8H2,1-2H3.
What are the key properties of bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)?
bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) has a molecular weight of 450.88 g/mol, XLogP of 12.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane) is sourced from PubChem (CID 173410079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).