4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane

C15H26 — CID 123153245

IUPAC4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane
SMILESC=C(C)CCCCC12CCC(CC)C1C2
InChIInChI=1S/C15H26/c1-4-13-8-10-15(11-14(13)15)9-6-5-7-12(2)3/h13-14H,2,4-11H2,1,3H3
InChIKeyXXYATPANLVSTBW-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.95
Rot. Bonds6

About 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane

4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane (PubChem CID 123153245) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane
PubChem CID123153245
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane
SMILESC=C(C)CCCCC12CCC(CC)C1C2
InChIInChI=1S/C15H26/c1-4-13-8-10-15(11-14(13)15)9-6-5-7-12(2)3/h13-14H,2,4-11H2,1,3H3
InChIKeyXXYATPANLVSTBW-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane?
The IUPAC name of 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane (CID 123153245) is 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane is C=C(C)CCCCC12CCC(CC)C1C2.
What is the InChIKey of 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane?
The InChIKey is XXYATPANLVSTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-4-13-8-10-15(11-14(13)15)9-6-5-7-12(2)3/h13-14H,2,4-11H2,1,3H3.
What are the key properties of 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane?
4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane has a molecular weight of 206.37 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 123153245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).