2-hexyltetracyclo[2.1.0.01,3.02,5]pentane

C11H16 — CID 57026739

IUPAC2-hexyltetracyclo[2.1.0.01,3.02,5]pentane
SMILESCCCCCCC12C3C4C1C432
InChIInChI=1S/C11H16/c1-2-3-4-5-6-10-8-7-9(10)11(7,8)10/h7-9H,2-6H2,1H3
InChIKeyIZRJBYARCWAHOV-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.83
Rot. Bonds5

About 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane

2-hexyltetracyclo[2.1.0.01,3.02,5]pentane (PubChem CID 57026739) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane.

Molecular Properties

Compound Name2-hexyltetracyclo[2.1.0.01,3.02,5]pentane
PubChem CID57026739
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-hexyltetracyclo[2.1.0.01,3.02,5]pentane
SMILESCCCCCCC12C3C4C1C432
InChIInChI=1S/C11H16/c1-2-3-4-5-6-10-8-7-9(10)11(7,8)10/h7-9H,2-6H2,1H3
InChIKeyIZRJBYARCWAHOV-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane?
The IUPAC name of 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane (CID 57026739) is 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane.
What is the SMILES notation for 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane?
The canonical SMILES for 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane is CCCCCCC12C3C4C1C432.
What is the InChIKey of 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane?
The InChIKey is IZRJBYARCWAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-4-5-6-10-8-7-9(10)11(7,8)10/h7-9H,2-6H2,1H3.
What are the key properties of 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane?
2-hexyltetracyclo[2.1.0.01,3.02,5]pentane has a molecular weight of 148.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyltetracyclo[2.1.0.01,3.02,5]pentane is sourced from PubChem (CID 57026739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).