trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane

C11H16 — CID 11275098

IUPACtrans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane
SMILESC=C[C@H]1C[C@@H]1/C=C/C=C\CC
InChIInChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3/b6-5-,8-7+/t10-,11-/m0/s1
InChIKeyIUJUNEVKAIOLIM-LHBSJXCKSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds4

About trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane

trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane (PubChem CID 11275098) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane
PubChem CID11275098
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nametrans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane
SMILESC=C[C@H]1C[C@@H]1/C=C/C=C\CC
InChIInChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3/b6-5-,8-7+/t10-,11-/m0/s1
InChIKeyIUJUNEVKAIOLIM-LHBSJXCKSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane?
The IUPAC name of trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane (CID 11275098) is trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane is C=C[C@H]1C[C@@H]1/C=C/C=C\CC.
What is the InChIKey of trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane?
The InChIKey is IUJUNEVKAIOLIM-LHBSJXCKSA-N. The full InChI is InChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3/b6-5-,8-7+/t10-,11-/m0/s1.
What are the key properties of trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane?
trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane has a molecular weight of 148.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethenyl-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane is sourced from PubChem (CID 11275098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).