1-but-3-en-2-yl-4-methylbenzene;ruthenium

C11H14Ru — CID 175031395

IUPAC1-but-3-en-2-yl-4-methylbenzene;ruthenium
SMILESC=CC(C)c1ccc(C)cc1.[Ru]
InChIInChI=1S/C11H14.Ru/c1-4-10(3)11-7-5-9(2)6-8-11;/h4-8,10H,1H2,2-3H3;
InChIKeyCOVJWDNWYNCYNZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.28
Rot. Bonds2

About 1-but-3-en-2-yl-4-methylbenzene;ruthenium

1-but-3-en-2-yl-4-methylbenzene;ruthenium (PubChem CID 175031395) has the molecular formula C11H14Ru and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-methylbenzene;ruthenium.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-methylbenzene;ruthenium
PubChem CID175031395
Molecular FormulaC11H14Ru
Molecular Weight247.30 g/mol
Exact Mass248.01
IUPAC Name1-but-3-en-2-yl-4-methylbenzene;ruthenium
SMILESC=CC(C)c1ccc(C)cc1.[Ru]
InChIInChI=1S/C11H14.Ru/c1-4-10(3)11-7-5-9(2)6-8-11;/h4-8,10H,1H2,2-3H3;
InChIKeyCOVJWDNWYNCYNZ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
ethane;1-methyl-4-(4-methylpent-1-en-3-yl)benzene
CID 142124188
1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
(2S)-3-methyl-2-(4-methylphenyl)butanenitrile
CID 40768189
(E)-2-methyl-4-(4-methylphenyl)pent-2-en-1-ol
CID 90431836
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-methylbenzene;ruthenium?
The IUPAC name of 1-but-3-en-2-yl-4-methylbenzene;ruthenium (CID 175031395) is 1-but-3-en-2-yl-4-methylbenzene;ruthenium.
What is the SMILES notation for 1-but-3-en-2-yl-4-methylbenzene;ruthenium?
The canonical SMILES for 1-but-3-en-2-yl-4-methylbenzene;ruthenium is C=CC(C)c1ccc(C)cc1.[Ru].
What is the InChIKey of 1-but-3-en-2-yl-4-methylbenzene;ruthenium?
The InChIKey is COVJWDNWYNCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.Ru/c1-4-10(3)11-7-5-9(2)6-8-11;/h4-8,10H,1H2,2-3H3;.
What are the key properties of 1-but-3-en-2-yl-4-methylbenzene;ruthenium?
1-but-3-en-2-yl-4-methylbenzene;ruthenium has a molecular weight of 247.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-methylbenzene;ruthenium is sourced from PubChem (CID 175031395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).