2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane

C15H28 — CID 123529702

IUPAC2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
SMILESCCC1CC2CC(CCCCC(C)C)C12
InChIInChI=1S/C15H28/c1-4-12-9-14-10-13(15(12)14)8-6-5-7-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyDJLAJJZYPXXPNI-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds6

About 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane

2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane (PubChem CID 123529702) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
PubChem CID123529702
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
SMILESCCC1CC2CC(CCCCC(C)C)C12
InChIInChI=1S/C15H28/c1-4-12-9-14-10-13(15(12)14)8-6-5-7-11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyDJLAJJZYPXXPNI-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
CID 22937327
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
1-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
CID 58111745
1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane
CID 91372204
1,4-dideuterio-1-ethyl-2-(7-methyloctyl)cyclohexane
CID 172781705
2-ethyl-1-methyl-4-(7-methyloctyl)-3-propylcyclohexane
CID 145259223
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
1-ethyl-2-(5-methylheptyl)-4-(10-methyl-2-pentylundecyl)cyclohexane
CID 58895748

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane?
The IUPAC name of 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane (CID 123529702) is 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane is CCC1CC2CC(CCCCC(C)C)C12.
What is the InChIKey of 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane?
The InChIKey is DJLAJJZYPXXPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-12-9-14-10-13(15(12)14)8-6-5-7-11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane?
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123529702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).