3-methylbutan-2-ylidenecyclopropane

C8H14 — CID 90920021

IUPAC3-methylbutan-2-ylidenecyclopropane
SMILESCC(=C1CC1)C(C)C
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h6H,4-5H2,1-3H3
InChIKeyDBYFGQOLGXNJGE-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About 3-methylbutan-2-ylidenecyclopropane

3-methylbutan-2-ylidenecyclopropane (PubChem CID 90920021) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylbutan-2-ylidenecyclopropane.

Molecular Properties

Compound Name3-methylbutan-2-ylidenecyclopropane
PubChem CID90920021
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylbutan-2-ylidenecyclopropane
SMILESCC(=C1CC1)C(C)C
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h6H,4-5H2,1-3H3
InChIKeyDBYFGQOLGXNJGE-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,4-Trimethylpent-2-ene
CID 11270
Cyclopropane, (1-methylethylidene)-
CID 138338
3-Hexene, 2,3,4,5-tetramethyl-, (Z)-
CID 3036382
Cyclopropane, 1,1-dimethyl-2-(1-methylethenyl)-
CID 136890
1-Cyclopropylethylidenecyclopropane
CID 12718944
(3-Methylbut-2-en-2-yl)cyclopropane
CID 14226819
3,4,5-Trimethyl-3-hexene
CID 53897566
3-Hexene, 2,3,4,5-tetramethyl-, (E)-
CID 3036383
(E)-2,3,4-trimethylhex-3-ene
CID 20470136
(Z)-2,3,4-trimethylhex-3-ene
CID 59821401
1-Methyl-2-propan-2-ylidenecyclopropane
CID 21718908
2,3,4,5-Tetramethylhex-3-ene
CID 143719

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ylidenecyclopropane?
The IUPAC name of 3-methylbutan-2-ylidenecyclopropane (CID 90920021) is 3-methylbutan-2-ylidenecyclopropane.
What is the SMILES notation for 3-methylbutan-2-ylidenecyclopropane?
The canonical SMILES for 3-methylbutan-2-ylidenecyclopropane is CC(=C1CC1)C(C)C.
What is the InChIKey of 3-methylbutan-2-ylidenecyclopropane?
The InChIKey is DBYFGQOLGXNJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h6H,4-5H2,1-3H3.
What are the key properties of 3-methylbutan-2-ylidenecyclopropane?
3-methylbutan-2-ylidenecyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ylidenecyclopropane is sourced from PubChem (CID 90920021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).