(2S)-1-but-2-enyl-2-methylcyclopropane

C8H14 — CID 59524462

IUPAC(2S)-1-but-2-enyl-2-methylcyclopropane
SMILESCC=CCC1C[C@@H]1C
InChIInChI=1S/C8H14/c1-3-4-5-8-6-7(8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyFMGLHEIIVMSRPI-JAMMHHFISA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds2

About (2S)-1-but-2-enyl-2-methylcyclopropane

(2S)-1-but-2-enyl-2-methylcyclopropane (PubChem CID 59524462) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (2S)-1-but-2-enyl-2-methylcyclopropane.

Molecular Properties

Compound Name(2S)-1-but-2-enyl-2-methylcyclopropane
PubChem CID59524462
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(2S)-1-but-2-enyl-2-methylcyclopropane
SMILESCC=CCC1C[C@@H]1C
InChIInChI=1S/C8H14/c1-3-4-5-8-6-7(8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyFMGLHEIIVMSRPI-JAMMHHFISA-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

1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
2-but-2-enylcyclobutan-1-ol
CID 71372115
1-but-2-enyl-2-chlorocyclopentane
CID 137320262
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
CID 59927394
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
2-but-2-enyl-4-tert-butylcyclohexan-1-ol
CID 76919133
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
(3S)-2-[(Z)-but-2-enyl]-3-methylcyclohexane-1-thiol
CID 130182234

Frequently Asked Questions

What is the IUPAC name of (2S)-1-but-2-enyl-2-methylcyclopropane?
The IUPAC name of (2S)-1-but-2-enyl-2-methylcyclopropane (CID 59524462) is (2S)-1-but-2-enyl-2-methylcyclopropane.
What is the SMILES notation for (2S)-1-but-2-enyl-2-methylcyclopropane?
The canonical SMILES for (2S)-1-but-2-enyl-2-methylcyclopropane is CC=CCC1C[C@@H]1C.
What is the InChIKey of (2S)-1-but-2-enyl-2-methylcyclopropane?
The InChIKey is FMGLHEIIVMSRPI-JAMMHHFISA-N. The full InChI is InChI=1S/C8H14/c1-3-4-5-8-6-7(8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-but-2-enyl-2-methylcyclopropane?
(2S)-1-but-2-enyl-2-methylcyclopropane 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 (2S)-1-but-2-enyl-2-methylcyclopropane is sourced from PubChem (CID 59524462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).