2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane

C9H14 — CID 123606065

IUPAC2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane
SMILESCCC12C(C)C3CC1C32
InChIInChI=1S/C9H14/c1-3-9-5(2)6-4-7(9)8(6)9/h5-8H,3-4H2,1-2H3
InChIKeyYTXNVYOAUBTJFJ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.30
Rot. Bonds1

About 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane

2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane (PubChem CID 123606065) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane.

Molecular Properties

Compound Name2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane
PubChem CID123606065
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane
SMILESCCC12C(C)C3CC1C32
InChIInChI=1S/C9H14/c1-3-9-5(2)6-4-7(9)8(6)9/h5-8H,3-4H2,1-2H3
InChIKeyYTXNVYOAUBTJFJ-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane?
The IUPAC name of 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane (CID 123606065) is 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane.
What is the SMILES notation for 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane?
The canonical SMILES for 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane is CCC12C(C)C3CC1C32.
What is the InChIKey of 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane?
The InChIKey is YTXNVYOAUBTJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-5(2)6-4-7(9)8(6)9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane?
2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyltricyclo[2.2.0.02,6]hexane is sourced from PubChem (CID 123606065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).