3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene

C11H18 — CID 57279457

IUPAC3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene
SMILESCC(C)C1=C2CCC1C(C)C2
InChIInChI=1S/C11H18/c1-7(2)11-9-4-5-10(11)8(3)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyAOEGLRMBZHIBLH-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds1

About 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene

3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene (PubChem CID 57279457) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene.

Molecular Properties

Compound Name3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene
PubChem CID57279457
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene
SMILESCC(C)C1=C2CCC1C(C)C2
InChIInChI=1S/C11H18/c1-7(2)11-9-4-5-10(11)8(3)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyAOEGLRMBZHIBLH-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene?
The IUPAC name of 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene (CID 57279457) is 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene.
What is the SMILES notation for 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene?
The canonical SMILES for 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene is CC(C)C1=C2CCC1C(C)C2.
What is the InChIKey of 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene?
The InChIKey is AOEGLRMBZHIBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7(2)11-9-4-5-10(11)8(3)6-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene?
3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene has a molecular weight of 150.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-ylbicyclo[2.2.1]hept-1(7)-ene is sourced from PubChem (CID 57279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).