3-methylbut-3-en-2-ylcyclopropane

C8H14 — CID 91068451

IUPAC3-methylbut-3-en-2-ylcyclopropane
SMILESC=C(C)C(C)C1CC1
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h7-8H,1,4-5H2,2-3H3
InChIKeyNYFBVWOCRKZCIY-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds2

About 3-methylbut-3-en-2-ylcyclopropane

3-methylbut-3-en-2-ylcyclopropane (PubChem CID 91068451) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylbut-3-en-2-ylcyclopropane.

Molecular Properties

Compound Name3-methylbut-3-en-2-ylcyclopropane
PubChem CID91068451
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylbut-3-en-2-ylcyclopropane
SMILESC=C(C)C(C)C1CC1
InChIInChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h7-8H,1,4-5H2,2-3H3
InChIKeyNYFBVWOCRKZCIY-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
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

2,4-Dimethyl-1-hexene
CID 519301
Hexane, 3-methyl-4-methylene-
CID 103004
2,3-Dimethylhex-1-ene
CID 86061
2,3,4-Trimethyl-1-pentene
CID 61131
1-Pentene, 2-cyclopropyl-
CID 138513
2-Isopropyl-3-methyl-1-pentene
CID 90734956
(3R)-2,3,4-trimethylpent-1-ene
CID 59911217
2-Cyclopropylmethyl-1-butene
CID 548884
Cyclopropane, (1-ethylvinyl)-
CID 138593
(2-Methyl-1-methylenepropyl)cyclopropane
CID 221167
2,4,5-Trimethylhex-1-ene
CID 11789223
1-Butyl-2-methylidenecyclopropane
CID 12928200

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-en-2-ylcyclopropane?
The IUPAC name of 3-methylbut-3-en-2-ylcyclopropane (CID 91068451) is 3-methylbut-3-en-2-ylcyclopropane.
What is the SMILES notation for 3-methylbut-3-en-2-ylcyclopropane?
The canonical SMILES for 3-methylbut-3-en-2-ylcyclopropane is C=C(C)C(C)C1CC1.
What is the InChIKey of 3-methylbut-3-en-2-ylcyclopropane?
The InChIKey is NYFBVWOCRKZCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)7(3)8-4-5-8/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 3-methylbut-3-en-2-ylcyclopropane?
3-methylbut-3-en-2-ylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-en-2-ylcyclopropane is sourced from PubChem (CID 91068451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).