trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane

C10H16 — CID 91746860

IUPACtrans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane
SMILESC=C[C@@H]1C[C@H]1C[C@H]1C[C@@H]1C
InChIInChI=1S/C10H16/c1-3-8-5-10(8)6-9-4-7(9)2/h3,7-10H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyKOIWKAVKZYGRKD-JLIMGVALSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds3

About trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane

trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane (PubChem CID 91746860) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane
PubChem CID91746860
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nametrans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane
SMILESC=C[C@@H]1C[C@H]1C[C@H]1C[C@@H]1C
InChIInChI=1S/C10H16/c1-3-8-5-10(8)6-9-4-7(9)2/h3,7-10H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1
InChIKeyKOIWKAVKZYGRKD-JLIMGVALSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane?
The IUPAC name of trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane (CID 91746860) is trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane?
The canonical SMILES for trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane is C=C[C@@H]1C[C@H]1C[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane?
The InChIKey is KOIWKAVKZYGRKD-JLIMGVALSA-N. The full InChI is InChI=1S/C10H16/c1-3-8-5-10(8)6-9-4-7(9)2/h3,7-10H,1,4-6H2,2H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane?
trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane has a molecular weight of 136.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethenyl-2-[[(1R,2S)-2-methylcyclopropyl]methyl]cyclopropane is sourced from PubChem (CID 91746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).