2-ethenyl-1,1,3-trimethylcyclopropane

C8H14 — CID 12554985

IUPAC2-ethenyl-1,1,3-trimethylcyclopropane
SMILESC=CC1C(C)C1(C)C
InChIInChI=1S/C8H14/c1-5-7-6(2)8(7,3)4/h5-7H,1H2,2-4H3
InChIKeyLRCNVNKKSBPWEW-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.46
Rot. Bonds1

About 2-ethenyl-1,1,3-trimethylcyclopropane

2-ethenyl-1,1,3-trimethylcyclopropane (PubChem CID 12554985) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-ethenyl-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Name2-ethenyl-1,1,3-trimethylcyclopropane
PubChem CID12554985
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2-ethenyl-1,1,3-trimethylcyclopropane
SMILESC=CC1C(C)C1(C)C
InChIInChI=1S/C8H14/c1-5-7-6(2)8(7,3)4/h5-7H,1H2,2-4H3
InChIKeyLRCNVNKKSBPWEW-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.46
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 2-ethenyl-1,1,3-trimethylcyclopropane?
The IUPAC name of 2-ethenyl-1,1,3-trimethylcyclopropane (CID 12554985) is 2-ethenyl-1,1,3-trimethylcyclopropane.
What is the SMILES notation for 2-ethenyl-1,1,3-trimethylcyclopropane?
The canonical SMILES for 2-ethenyl-1,1,3-trimethylcyclopropane is C=CC1C(C)C1(C)C.
What is the InChIKey of 2-ethenyl-1,1,3-trimethylcyclopropane?
The InChIKey is LRCNVNKKSBPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-5-7-6(2)8(7,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 2-ethenyl-1,1,3-trimethylcyclopropane?
2-ethenyl-1,1,3-trimethylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 12554985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).