1-buta-2,3-dien-2-yl-2-methylcyclopropane

C8H12 — CID 78063848

IUPAC1-buta-2,3-dien-2-yl-2-methylcyclopropane
SMILESC=C=C(C)C1CC1C
InChIInChI=1S/C8H12/c1-4-6(2)8-5-7(8)3/h7-8H,1,5H2,2-3H3
InChIKeyUTIMMENSLQESOL-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.37
Rot. Bonds1

About 1-buta-2,3-dien-2-yl-2-methylcyclopropane

1-buta-2,3-dien-2-yl-2-methylcyclopropane (PubChem CID 78063848) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yl-2-methylcyclopropane.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yl-2-methylcyclopropane
PubChem CID78063848
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-buta-2,3-dien-2-yl-2-methylcyclopropane
SMILESC=C=C(C)C1CC1C
InChIInChI=1S/C8H12/c1-4-6(2)8-5-7(8)3/h7-8H,1,5H2,2-3H3
InChIKeyUTIMMENSLQESOL-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yl-2-methylcyclopropane?
The IUPAC name of 1-buta-2,3-dien-2-yl-2-methylcyclopropane (CID 78063848) is 1-buta-2,3-dien-2-yl-2-methylcyclopropane.
What is the SMILES notation for 1-buta-2,3-dien-2-yl-2-methylcyclopropane?
The canonical SMILES for 1-buta-2,3-dien-2-yl-2-methylcyclopropane is C=C=C(C)C1CC1C.
What is the InChIKey of 1-buta-2,3-dien-2-yl-2-methylcyclopropane?
The InChIKey is UTIMMENSLQESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-4-6(2)8-5-7(8)3/h7-8H,1,5H2,2-3H3.
What are the key properties of 1-buta-2,3-dien-2-yl-2-methylcyclopropane?
1-buta-2,3-dien-2-yl-2-methylcyclopropane has a molecular weight of 108.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yl-2-methylcyclopropane is sourced from PubChem (CID 78063848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).