[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene

C14H16 — CID 134846677

IUPAC[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
SMILESC=C[C@@H]1C[C@H]1C1C[C@H]1c1ccccc1
InChIInChI=1S/C14H16/c1-2-10-8-12(10)14-9-13(14)11-6-4-3-5-7-11/h2-7,10,12-14H,1,8-9H2/t10-,12-,13+,14?/m1/s1
InChIKeyCIWUQCTVLLOAAS-BKQLOGFTSA-N
MW184.28 g/mol
LogP3.61
Rot. Bonds3

About [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene

[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene (PubChem CID 134846677) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene.

Molecular Properties

Compound Name[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
PubChem CID134846677
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
SMILESC=C[C@@H]1C[C@H]1C1C[C@H]1c1ccccc1
InChIInChI=1S/C14H16/c1-2-10-8-12(10)14-9-13(14)11-6-4-3-5-7-11/h2-7,10,12-14H,1,8-9H2/t10-,12-,13+,14?/m1/s1
InChIKeyCIWUQCTVLLOAAS-BKQLOGFTSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene?
The IUPAC name of [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene (CID 134846677) is [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene.
What is the SMILES notation for [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene?
The canonical SMILES for [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene is C=C[C@@H]1C[C@H]1C1C[C@H]1c1ccccc1.
What is the InChIKey of [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene?
The InChIKey is CIWUQCTVLLOAAS-BKQLOGFTSA-N. The full InChI is InChI=1S/C14H16/c1-2-10-8-12(10)14-9-13(14)11-6-4-3-5-7-11/h2-7,10,12-14H,1,8-9H2/t10-,12-,13+,14?/m1/s1.
What are the key properties of [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene?
[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene has a molecular weight of 184.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene is sourced from PubChem (CID 134846677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).