trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane

C11H18 — CID 6427630

IUPACtrans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane
SMILESC=CCCC[C@H]1C[C@@H]1CC=C
InChIInChI=1S/C11H18/c1-3-5-6-8-11-9-10(11)7-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyKKXDEBJQEVHHTH-QWRGUYRKSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds6

About trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane

trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane (PubChem CID 6427630) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane
PubChem CID6427630
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nametrans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane
SMILESC=CCCC[C@H]1C[C@@H]1CC=C
InChIInChI=1S/C11H18/c1-3-5-6-8-11-9-10(11)7-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyKKXDEBJQEVHHTH-QWRGUYRKSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane (CID 6427630) is trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane is C=CCCC[C@H]1C[C@@H]1CC=C.
What is the InChIKey of trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane?
The InChIKey is KKXDEBJQEVHHTH-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18/c1-3-5-6-8-11-9-10(11)7-4-2/h3-4,10-11H,1-2,5-9H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane?
trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane has a molecular weight of 150.26 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-pent-4-enyl-2-prop-2-enylcyclopropane is sourced from PubChem (CID 6427630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).