4,5,5-trimethylhex-2-enylcyclopropane

C12H22 — CID 123525275

IUPAC4,5,5-trimethylhex-2-enylcyclopropane
SMILESCC(C=CCC1CC1)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(12(2,3)4)6-5-7-11-8-9-11/h5-6,10-11H,7-9H2,1-4H3
InChIKeyAIFKJXYXDIAHLT-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds3

About 4,5,5-trimethylhex-2-enylcyclopropane

4,5,5-trimethylhex-2-enylcyclopropane (PubChem CID 123525275) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,5,5-trimethylhex-2-enylcyclopropane.

Molecular Properties

Compound Name4,5,5-trimethylhex-2-enylcyclopropane
PubChem CID123525275
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,5,5-trimethylhex-2-enylcyclopropane
SMILESCC(C=CCC1CC1)C(C)(C)C
InChIInChI=1S/C12H22/c1-10(12(2,3)4)6-5-7-11-8-9-11/h5-6,10-11H,7-9H2,1-4H3
InChIKeyAIFKJXYXDIAHLT-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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 4,5,5-trimethylhex-2-enylcyclopropane?
The IUPAC name of 4,5,5-trimethylhex-2-enylcyclopropane (CID 123525275) is 4,5,5-trimethylhex-2-enylcyclopropane.
What is the SMILES notation for 4,5,5-trimethylhex-2-enylcyclopropane?
The canonical SMILES for 4,5,5-trimethylhex-2-enylcyclopropane is CC(C=CCC1CC1)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethylhex-2-enylcyclopropane?
The InChIKey is AIFKJXYXDIAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10(12(2,3)4)6-5-7-11-8-9-11/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of 4,5,5-trimethylhex-2-enylcyclopropane?
4,5,5-trimethylhex-2-enylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethylhex-2-enylcyclopropane is sourced from PubChem (CID 123525275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).