zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene

C14H20Zn — CID 134861633

IUPACzinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene
SMILESCC[C@@H]1[CH-][C@@]1(C)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C12H15.C2H5.Zn/c1-3-10-9-12(10,2)11-7-5-4-6-8-11;1-2;/h4-10H,3H2,1-2H3;1H2,2H3;/q2*-1;+2/t10-,12-;;/m1../s1
InChIKeyLADVTDIUIMHYJX-YNSCCRKDSA-N
MW253.70 g/mol
LogP4.03
Rot. Bonds2

About zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene

zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene (PubChem CID 134861633) has the molecular formula C14H20Zn and a molecular weight of 253.70 g/mol. Its IUPAC name is zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene.

Molecular Properties

Compound Namezinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene
PubChem CID134861633
Molecular FormulaC14H20Zn
Molecular Weight253.70 g/mol
Exact Mass252.09
IUPAC Namezinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene
SMILESCC[C@@H]1[CH-][C@@]1(C)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C12H15.C2H5.Zn/c1-3-10-9-12(10,2)11-7-5-4-6-8-11;1-2;/h4-10H,3H2,1-2H3;1H2,2H3;/q2*-1;+2/t10-,12-;;/m1../s1
InChIKeyLADVTDIUIMHYJX-YNSCCRKDSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3-methyl-3-phenyl-1,2,4,5-tetraoxane
CID 52920785
3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 19438036
1-ethyl-3-methyl-3-phenylazetidine
CID 23641
magnesium [(1S,2R)-2-methyl-1-phenylcyclopropyl]methanolate
CID 134998960
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
3-ethyl-3,4-dimethyl-2,2-diphenyloxetane
CID 165355883
4-ethyl-1-phenylbicyclo[2.2.2]octane-2,6,7-triol
CID 141227449
5-ethyl-2,2-diphenyloxolane
CID 102273075
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687

Frequently Asked Questions

What is the IUPAC name of zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene?
The IUPAC name of zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene (CID 134861633) is zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene.
What is the SMILES notation for zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene?
The canonical SMILES for zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene is CC[C@@H]1[CH-][C@@]1(C)c1ccccc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene?
The InChIKey is LADVTDIUIMHYJX-YNSCCRKDSA-N. The full InChI is InChI=1S/C12H15.C2H5.Zn/c1-3-10-9-12(10,2)11-7-5-4-6-8-11;1-2;/h4-10H,3H2,1-2H3;1H2,2H3;/q2*-1;+2/t10-,12-;;/m1../s1.
What are the key properties of zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene?
zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene has a molecular weight of 253.70 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;[(1R,2S)-2-ethyl-1-methylcyclopropyl]benzene is sourced from PubChem (CID 134861633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).