3-methyl-3-propan-2-ylcyclopropene

C7H12 — CID 91355766

IUPAC3-methyl-3-propan-2-ylcyclopropene
SMILESCC(C)C1(C)C=C1
InChIInChI=1S/C7H12/c1-6(2)7(3)4-5-7/h4-6H,1-3H3
InChIKeyDDRGZUMYFWIBHW-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds1

About 3-methyl-3-propan-2-ylcyclopropene

3-methyl-3-propan-2-ylcyclopropene (PubChem CID 91355766) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylcyclopropene.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylcyclopropene
PubChem CID91355766
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name3-methyl-3-propan-2-ylcyclopropene
SMILESCC(C)C1(C)C=C1
InChIInChI=1S/C7H12/c1-6(2)7(3)4-5-7/h4-6H,1-3H3
InChIKeyDDRGZUMYFWIBHW-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
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-3-propan-2-ylcyclopropene?
The IUPAC name of 3-methyl-3-propan-2-ylcyclopropene (CID 91355766) is 3-methyl-3-propan-2-ylcyclopropene.
What is the SMILES notation for 3-methyl-3-propan-2-ylcyclopropene?
The canonical SMILES for 3-methyl-3-propan-2-ylcyclopropene is CC(C)C1(C)C=C1.
What is the InChIKey of 3-methyl-3-propan-2-ylcyclopropene?
The InChIKey is DDRGZUMYFWIBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)7(3)4-5-7/h4-6H,1-3H3.
What are the key properties of 3-methyl-3-propan-2-ylcyclopropene?
3-methyl-3-propan-2-ylcyclopropene has a molecular weight of 96.17 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylcyclopropene is sourced from PubChem (CID 91355766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).