1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene

C11H20 — CID 90847124

IUPAC1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene
SMILESCC1=C(C(C)(C)C)C1C(C)C
InChIInChI=1S/C11H20/c1-7(2)9-8(3)10(9)11(4,5)6/h7,9H,1-6H3
InChIKeyCYIHPXAGUGVINO-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds1

About 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene

1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene (PubChem CID 90847124) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene
PubChem CID90847124
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene
SMILESCC1=C(C(C)(C)C)C1C(C)C
InChIInChI=1S/C11H20/c1-7(2)9-8(3)10(9)11(4,5)6/h7,9H,1-6H3
InChIKeyCYIHPXAGUGVINO-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
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 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene?
The IUPAC name of 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene (CID 90847124) is 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene?
The canonical SMILES for 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene is CC1=C(C(C)(C)C)C1C(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene?
The InChIKey is CYIHPXAGUGVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7(2)9-8(3)10(9)11(4,5)6/h7,9H,1-6H3.
What are the key properties of 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene?
1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-propan-2-ylcyclopropene is sourced from PubChem (CID 90847124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).