1-butan-2-yl-2-methylcyclopropene

C8H14 — CID 91117860

IUPAC1-butan-2-yl-2-methylcyclopropene
SMILESCCC(C)C1=C(C)C1
InChIInChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h6H,4-5H2,1-3H3
InChIKeyOHSMOGIJHBYJLE-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds2

About 1-butan-2-yl-2-methylcyclopropene

1-butan-2-yl-2-methylcyclopropene (PubChem CID 91117860) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-butan-2-yl-2-methylcyclopropene.

Molecular Properties

Compound Name1-butan-2-yl-2-methylcyclopropene
PubChem CID91117860
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-butan-2-yl-2-methylcyclopropene
SMILESCCC(C)C1=C(C)C1
InChIInChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h6H,4-5H2,1-3H3
InChIKeyOHSMOGIJHBYJLE-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

CID 166033837
CID 166033837
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675
1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
CID 18724216
3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one
CID 163011912
4-butan-2-yl-3H-dithiole-5-thiol
CID 140502345
1-butan-2-yl-5-methyl-2-methylsulfanylcyclohepta-1,3,5-triene
CID 146588048
5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine
CID 130455708
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
5,17-bis[(2S)-butan-2-yl]-11,23-bis[(2R)-butan-2-yl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 129428327
argon;3,4-dimethylhexane;3,5-dimethyl-4H-pyrazole
CID 157147348
2-butan-2-yl-4-methyl-1-propan-2-ylimidazole
CID 129190892
5-butan-2-yl-4-methylpyrimidine
CID 138494924

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methylcyclopropene?
The IUPAC name of 1-butan-2-yl-2-methylcyclopropene (CID 91117860) is 1-butan-2-yl-2-methylcyclopropene.
What is the SMILES notation for 1-butan-2-yl-2-methylcyclopropene?
The canonical SMILES for 1-butan-2-yl-2-methylcyclopropene is CCC(C)C1=C(C)C1.
What is the InChIKey of 1-butan-2-yl-2-methylcyclopropene?
The InChIKey is OHSMOGIJHBYJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-6(2)8-5-7(8)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-methylcyclopropene?
1-butan-2-yl-2-methylcyclopropene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methylcyclopropene is sourced from PubChem (CID 91117860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).